Molecular Spectroscopy Group/Publications

Members          Research          Lab & Equipments          Projects          Publications          Collaborations

(1) Tamayo, A.; Salzillo, T.; Mas-Torrent, M. Organic Field-Effect Transistors Based on Ternary Blends Including a Fluorinated Polymer for Achieving Enhanced Device Stability. Advanced Materials Interfaces 2022, 2101679.

(2) Tamayo, A.; Hofer, S.; Salzillo, T.; Ruzié, C.; Schweicher, G.; Resel, R.; Mas-Torrent, M. Mobility Anisotropy in the Herringbone Structure of Asymmetric Ph-BTBT-10 in Solution Sheared Thin Film Transistors. Journal of Materials Chemistry C 2021, 9 (22), 7186–7193.

(3) Sanders, E.; Soffer, Y.; Salzillo, T.; Rosenberg, M.; Bar-Elli, O.; Yaffe, O.; Joselevich, E.; Oron, D. Remanent Polarization and Strong Photoluminescence Modulation by an External Electric Field in Epitaxial CsPbBr3 Nanowires. ACS nano 2021, 15 (10), 16130–16138.

(4) Salzillo, T.; Giunchi, A.; Pandolfi, L.; Brillante, A.; Venuti, E. Bulk and Surface-Mediated Polymorphs of Bio-Inspired Dyes Organic Semiconductors: The Role of Lattice Phonons in Their Investigation. Israel Journal of Chemistry 2021, 61 (9–10), 650–667.

(5) Salzillo, T.; Girlando, A.; Brillante, A. Revisiting the Disorder–Order Transition in 1-X-Adamantane Plastic Crystals: Rayleigh Wing, Boson Peak, and Lattice Phonons. The Journal of Physical Chemistry C 2021, 125 (13), 7384–7391.

(6) Salzillo, T.; D’Amico, F.; Montes, N.; Pfattner, R.; Mas-Torrent, M. Influence of Polymer Binder on the Performance of DiF-TES-ADT Based Organic Field Effect Transistor. CrystEngComm 2021, 23 (4), 1043–1051.

(7) Salzillo, T.; Brillante, A.; Girlando, A. Terahertz Raman Scattering as a Probe for Electron–Phonon Coupling, Disorder and Correlation Length in Molecular Materials. Journal of Materials Chemistry C 2021, 9 (33), 10677–10688.

(8) Rivalta, A.; Albonetti, C.; Biancone, D.; Della Ciana, M.; d’Agostino, S.; Biniek, L.; Brinkmann, M.; Giunchi, A.; Salzillo, T.; Brillante, A.; others. Growth, Morphology and Molecular Orientation of Controlled Indigo Thin Films on Silica Surfaces. Surfaces and Interfaces 2021, 24, 101058.

(9) Pandolfi, L.; Giunchi, A.; Salzillo, T.; Brillante, A.; Della Valle, R. G.; Venuti, E.; Grepioni, F.; D’Agostino, S. The Impact of Solid Solution Composition on Kinetics and Mechanism of [2+ 2] Photodimerization of Cinnamic Acid Derivatives. CrystEngComm 2021, 23 (6), 1352–1359.

(10) Pandolfi, L.; GIUNCHI, A.; RIVALTA, A.; D’Agostino, S.; Della Valle, R. G. G.; Mas-Torrent, M.; Lanzi, M.; Venuti, E.; Salzillo, T. Precursor Polymorph Determines the Organic Semiconductor Structure Formed upon Annealing. Journal of Materials Chemistry C 2021.

(11) Musella, E.; Gualandi, I.; Giorgetti, M.; Scavetta, E.; Basile, F.; Rivalta, A.; Venuti, E.; Corticelli, F.; Christian, M.; Morandi, V.; others. Electrosynthesis and Characterization of Layered Double Hydroxides on Different Supports. Applied Clay Science 2021, 202, 105949.

(12) Marin, F.; Tombolesi, S.; Salzillo, T.; Yaffe, O.; Maini, L. Thorough Investigation on the High-Temperature Polymorphism of Dipentyl-Perylenediimide: Thermal Expansion vs Polymorphic Transition. 2021.

(13) Hofer, S.; Unterkofler, J.; Kaltenegger, M.; Schweicher, G.; Ruzié, C.; Tamayo, A.; Salzillo, T.; Mas-Torrent, M.; Sanzone, A.; Beverina, L.; others. Molecular Disorder in Crystalline Thin Films of an Asymmetric BTBT Derivative. Chemistry of Materials 2021, 33 (4), 1455–1461.

(14) Edri, E.; Armon, N.; Greenberg, E.; Moshe-Tsurel, S.; Lubotzky, D.; Salzillo, T.; Perelshtein, I.; Tkachev, M.; Girshevitz, O.; Shpaisman, H. Laser Printing of Multilayered Alternately Conducting and Insulating Microstructures. ACS applied materials & interfaces 2021, 13 (30), 36416–36425.

(15) Salzillo, T.; Valle, R. G. D.; Venuti, E.; Brillante, A.; Kociok-Köhn, G.; Di Nuzzo, D.; Masino, M.; Girlando, A. (Perylene) 3-(TCNQF1) 2: Yet Another Member in the Series of Perylene–TCNQFx Polymorphic Charge Transfer Crystals. Crystals 2020, 10 (3), 177.

(16) Salzillo, T.; Montes, N.; Pfattner, R.; Mas-Torrent, M. Selection of the Two Enantiotropic Polymorphs of DiF-TES-ADT in Solution Sheared Thin Film Transistors. Journal of Materials Chemistry C 2020, 8 (43), 15361–15367.

(17) Salzillo, T.; Campos, A.; Babuji, A.; Santiago, R.; Bromley, S. T.; Ocal, C.; Barrena, E.; Jouclas, R.; Ruzie, C.; Schweicher, G.; others. Enhancing Long-Term Device Stability Using Thin Film Blends of Small Molecule Semiconductors and Insulating Polymers to Trap Surface-Induced Polymorphs. Advanced Functional Materials 2020, 30 (52), 2006115.

(18) Rivalta, A.; Giunchi, A.; Pandolfi, L.; Salzillo, T.; d’Agostino, S.; Werzer, O.; Schrode, B.; Demitri, N.; Mas-Torrent, M.; Brillante, A.; others. Crystal Alignment of Surface Stabilized Polymorph in Thioindigo Films. Dyes and pigments 2020, 172, 107847.

(19) Pandolfi, L.; Rivalta, A.; Salzillo, T.; Giunchi, A.; D’Agostino, S.; Della Valle, R. G.; Brillante, A.; Venuti, E. In Search of Surface-Induced Crystal Structures: The Case of Tyrian Purple. The Journal of Physical Chemistry C 2020, 124 (32), 17702–17710.

(20) Masino, M.; Salzillo, T.; Brillante, A.; Della Valle, R. G.; Venuti, E.; Girlando, A. Experimental Estimate of the Holstein Electron–Phonon Coupling Constants in Perylene. Advanced Electronic Materials 2020, 6 (8), 2000208.

(21) Salzillo, T.; Rivalta, A.; Castagnetti, N.; D’Agostino, S.; Masino, M.; Grepioni, F.; Venuti, E.; Brillante, A.; Girlando, A. Spectroscopic Identification of Quinacridone Polymorphs for Organic Electronics. CrystEngComm 2019, 21 (24), 3702–3708.

(22) Salzillo, T.; Della Valle, R. G.; Venuti, E.; Kociok-Köhn, G.; Masino, M.; Girlando, A.; Brillante, A. Solution Equilibrium between Two Structures of Perylene-F2TCNQ Charge Transfer Co-Crystals. Journal of Crystal Growth 2019, 516, 45–50.

(23) Salzillo, T.; Crivillers, N.; Mas-Torrent, M.; Wurst, K.; Veciana, J.; Rovira, C. Synthesis of a Vinylogue Tetrathiafulvalene Derivative and Study of Its Charge Transfer Complex with TCNQF4. Synthetic Metals 2019, 247, 144–150.

(24) Salzillo, T.; Campos, A.; Mas-Torrent, M. Solution-Processed Thin Films of a Charge Transfer Complex for Ambipolar Field-Effect Transistors. Journal of Materials Chemistry C 2019, 7 (33), 10257–10263.

(25) Salzillo, T.; Brillante, A. Commenting on the Photoreactions of Anthracene Derivatives in the Solid State. CrystEngComm 2019, 21 (20), 3127–3136.

(26) Riegler, H.; Rivalta, A.; Christian, P.; Röthel, C.; Salzillo, T.; Venuti, E.; Werzer, O. Epitaxial Relation of Carbamazepine and Its Precursor Template Extracted from Rotating Grazing Incidence X-Ray Diffraction. Thin Solid Films 2019, 683, 67–73.

(27) Musella, E.; Gualandi, I.; Scavetta, E.; Rivalta, A.; Venuti, E.; Christian, M.; Morandi, V.; Mullaliu, A.; Giorgetti, M.; Tonelli, D. Newly Developed Electrochemical Synthesis of Co-Based Layered Double Hydroxides: Toward Noble Metal-Free Electro-Catalysis. Journal of Materials Chemistry A 2019, 7 (18), 11241–11249.

(28) Musella, E.; Gualandi, I.; Scavetta, E.; Gazzano, M.; Rivalta, A.; Venuti, E.; Christian, M.; Morandi, V.; Tonelli, D. Electrochemical Approach for the Production of Layered Double Hydroxides with a Well-Defined Co/MeIII Ratio. Chemistry–A European Journal 2019, 25 (71), 16301–16310.

(29) Giunchi, A.; Rivalta, A.; Bedoya-Martínez, N.; Schrode, B.; Braun, D. E.; Werzer, O.; Venuti, E.; Della Valle, R. G. Surface Induced Phenytoin Polymorph. 2. Structure Validation by Comparing Experimental and Density Functional Theory Raman Spectra. Crystal growth & design 2019, 19 (11), 6067–6073.

(30) Braun, D. E.; Rivalta, A.; Giunchi, A.; Bedoya-Martinez, N.; Schrode, B.; Venuti, E.; Della Valle, R. G.; Werzer, O. Surface Induced Phenytoin Polymorph. 1. Full Structure Solution by Combining Grazing Incidence X-Ray Diffraction and Crystal Structure Prediction. Crystal growth & design 2019, 19 (11), 6058–6066.

(31) Schrode, B.; Jones, A. O.; Resel, R.; Bedoya, N.; Schennach, R.; Geerts, Y. H.; Ruzié, C.; Sferrazza, M.; Brillante, A.; Salzillo, T.; others. Substrate-Induced Phase of a Benzothiophene Derivative Detected by Mid-Infrared and Lattice Phonon Raman Spectroscopy. ChemPhysChem 2018, 19 (8), 993–1000.

(32) Salzillo, T.; Giunchi, A.; Masino, M.; Bedoya-Martı́nez, N.; Della Valle, R. G.; Brillante, A.; Girlando, A.; Venuti, E. An Alternative Strategy to Polymorph Recognition at Work: The Emblematic Case of Coronene. Crystal Growth & Design 2018, 18 (9), 4869–4873.

(33) Salzillo, T.; d’Agostino, S.; Rivalta, A.; Giunchi, A.; Brillante, A.; Della Valle, R.; Bedoya-Martínez, N.; Zojer, E.; Grepioni, F.; Venuti, E. Structural, Spectroscopic, and Computational Characterization of the Concomitant Polymorphs of the Natural Semiconductor Indigo. The Journal of Physical Chemistry C 2018, 122 (32), 18422–18431.

(34) Rivalta, A.; Salzillo, T.; Venuti, E.; Della Valle, R. G.; Sokolovič, B.; Werzer, O.; Brillante, A. Bulk and Surface-Stabilized Structures of Paracetamol Revisited by Raman Confocal Microscopy. ACS omega 2018, 3 (8), 9564–9571.

(35) Henderson, J.; Masino, M.; Hatcher, L. E.; Kociok-Köhn, G.; Salzillo, T.; Brillante, A.; Raithby, P. R.; Girlando, A.; Da Como, E. New Polymorphs of Perylene: Tetracyanoquinodimethane Charge Transfer Cocrystals. Crystal Growth & Design 2018, 18 (4), 2003–2009.

(36) Della Valle, R. G.; Venuti, E.; Salzillo, T.; Brillante, A.; Masino, M.; Girlando, A. Simulated Raman Spectra of Four Tetraphenylbutadiene Polymorphs. International Journal of Quantum Chemistry 2018, 118 (5), e25503.

(37) Cappuccino, C.; Mazzeo, P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L. A Synergic Approach of X-Ray Powder Diffraction and Raman Spectroscopy for Crystal Structure Determination of 2, 3-Thienoimide Capped Oligothiophenes. Physical Chemistry Chemical Physics 2018, 20 (5), 3630–3636.

(38) Benvenuti, E.; Gentili, D.; Chiarella, F.; Portone, A.; Barra, M.; Cecchini, M.; Cappuccino, C.; Zambianchi, M.; Lopez, S. G.; Salzillo, T.; others. Tuning Polymorphism in 2, 3-Thienoimide Capped Oligothiophene Based Field-Effect Transistors by Implementing Vacuum and Solution Deposition Methods. Journal of Materials Chemistry C 2018, 6 (21), 5601–5608.

(39) Bedoya-Martínez, N.; Giunchi, A.; Salzillo, T.; Venuti, E.; Della Valle, R. G.; Zojer, E. Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van Der Waals Interactions. Journal of chemical theory and computation 2018, 14 (8), 4380–4390.

(40) Socci, J.; Salzillo, T.; Della Valle, R. G.; Venuti, E.; Brillante, A. Fast Identification of Rubrene Polymorphs by Lattice Phonon Raman Microscopy. Solid State Sciences 2017, 71, 146–151.

(41) Salzillo, T.; Venuti, E.; Femoni, C.; Della Valle, R. G.; Tarroni, R.; Brillante, A. Crystal Structure of the 9-Anthracene–Carboxylic Acid Photochemical Dimer and Its Solvates by X-Ray Diffraction and Raman Microscopy. Crystal Growth & Design 2017, 17 (6), 3361–3370.

(42) Salzillo, T.; Venuti, E.; Della Valle, R. G.; Brillante, A. Solid-State Photodimerization of 9-Methyl-Anthracene. Journal of Raman Spectroscopy 2017, 48 (2), 271–277.

(43) Brillante, A.; Salzillo, T.; Della Valle, R. G.; Venuti, E.; Borgatti, F.; Lunedei, E.; Liscio, F.; Milita, S.; Albonetti, C. Photoluminescence as a Probe of Molecular Organization in PDI8-CN2 Ultra-Thin Films. Journal of Luminescence 2017, 187, 403–409.

(44) Bedoya-Martínez, N.; Schrode, B.; Jones, A. O.; Salzillo, T.; Ruzié, C.; Demitri, N.; Geerts, Y. H.; Venuti, E.; Della Valle, R. G.; Zojer, E.; others. DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting. The journal of physical chemistry letters 2017, 8 (15), 3690–3695.

(45) Salzillo, T.; Masino, M.; Kociok-Köhn, G.; Di Nuzzo, D.; Venuti, E.; Della Valle, R. G.; Vanossi, D.; Fontanesi, C.; Girlando, A.; Brillante, A.; others. Structure, Stoichiometry, and Charge Transfer in Cocrystals of Perylene with TCNQ-F x. Crystal Growth & Design 2016, 16 (5), 3028–3036.

(46) Salzillo, T.; Della Valle, R. G.; Venuti, E.; Brillante, A.; Siegrist, T.; Masino, M.; Mezzadri, F.; Girlando, A. Two New Polymorphs of the Organic Semiconductor 9, 10-Diphenylanthracene: Raman and X-Ray Analysis. The Journal of Physical Chemistry C 2016, 120 (3), 1831–1840.

(47) Salzillo, T. Structure, Dynamics and Reactivity in the Organic Solid State: Anthracene Derivatives and Charge Transfer Crystals. 2015.

(48) Salzillo, T.; Zaccheroni, S.; Della Valle, R. G.; Venuti, E.; Brillante, A. Micro Raman Investigation of the Photodimerization Reaction of 9-Cyanoanthracene in the Solid State. The Journal of Physical Chemistry C 2014, 118 (18), 9628–9635.

(49) Mazzanti, F.; Magnani, G.; Grilli, S.; Brillante, A.; Salzillo, T.; Brentari, A.; Burresi, E.; Mingazzini, C.; Fabbri, P. Microstructural Characterization of Activated Carbon Obtained from Waste Tires. In Advances in Science and Technology; Trans Tech Publ, 2014; Vol. 87, pp 79–84.

(50) Di Maria, F.; Fabiano, E.; Gentili, D.; Biasiucci, M.; Salzillo, T.; Bergamini, G.; Gazzano, M.; Zanelli, A.; Brillante, A.; Cavallini, M.; others. Polymorphism in Crystalline Microfibers of Achiral Octithiophene: The Effect on Charge Transport, Supramolecular Chirality and Optical Properties. Advanced Functional Materials 2014, 24 (31), 4943–4951.

(51) Burgio, F.; Fabbri, P.; Magnani, G.; Scafè, M.; Pilloni, L.; Brentari, A.; Brillante, A.; Salzillo, T. Cf/C Composites: Correlation between CVI Process Parameters and Pyrolytic Carbon Microstructure. Frattura ed Integrità Strutturale 2014, 8 (30), 68–74.

(52) Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E. Exploration of the Polymorph Landscape for 1, 1, 4, 4-Tetraphenyl-1, 3-Butadiene. CrystEngComm 2014, 16 (35), 8205–8213.

(53) Bacchi, A.; Bilotti, I.; Brillante, A.; Crocco, D.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E. Raman Investigation of Polymorphism in 1, 1, 4, 4-Tetraphenyl-Butadiene. Journal of Raman Spectroscopy 2013, 44 (6), 905–908.

(54) Salzmann, I.; Moser, A.; Oehzelt, M.; Breuer, T.; Feng, X.; Juang, Z.-Y.; Nabok, D.; Della Valle, R. G.; Duhm, S.; Heimel, G.; others. Epitaxial Growth of π-Stacked Perfluoropentacene on Graphene-Coated Quartz. ACS nano 2012, 6 (12), 10874–10883.

(55) Salzillo, T.; Bilotti, I.; Della Valle, R. G.; Venuti, E.; Brillante, A. Crystal-to-Crystal Photoinduced Reaction of Dinitroanthracene to Anthraquinone. Journal of the American Chemical Society 2012, 134 (42), 17671–17679.

(56) Pfattner, R.; Mas-Torrent, M.; Moreno, C.; Puigdollers, J.; Alcubilla, R.; Bilotti, I.; Venuti, E.; Brillante, A.; Laukhin, V.; Veciana, J.; others. Organic Metal–Organic Semiconductor Blended Contacts in Single Crystal Field-Effect Transistors. Journal of Materials Chemistry 2012, 22 (31), 16011–16016.

(57) Liscio, F.; Milita, S.; Albonetti, C.; D’Angelo, P.; Guagliardi, A.; Masciocchi, N.; Della Valle, R. G.; Venuti, E.; Brillante, A.; Biscarini, F. Structure and Morphology of PDI8-CN2 for n-Type Thin-Film Transistors. Advanced Functional Materials 2012, 22 (5), 943–953.

(58) Girlando, A.; Masino, M.; Bilotti, I.; Brillante, A.; Della Valle, R. G.; Venuti, E. Phonon Dynamics and Electron–Phonon Coupling in Pristine Picene. Physical Chemistry Chemical Physics 2012, 14 (5), 1694–1699.

(59) Fusina, L.; Nivellini, G. D.; Salzillo, T.; Lamarra, M.; Tarroni, R. Ab Initio Quartic Force Field of Stannane and Rotational Analysis of the Ν1 Infrared Band of H120SnD3. The Journal of chemical physics 2012, 137 (20), 204316.

(60) Brillante, A.; Bilotti, I.; Della Valle, R. G.; Venuti, E.; Girlando, A.; Masino, M.; Liscio, F.; Milita, S.; Albonetti, C.; D’angelo, P.; others. Structure and Dynamics of Pentacene on SiO 2: From Monolayer to Bulk Structure. Physical Review B 2012, 85 (19), 195308.

(61) Brillante, A.; Bilotti, I.; Della Valle, R. G.; Venuti, E.; Mas-Torrent, M.; Rovira, C.; Yamashita, Y. Phase Recognition by Lattice Phonon Raman Spectra: The Triclinic Structure of the Organic Semiconductor Dibenzo-Tetrathiafulvalene. Chemical Physics Letters 2012, 523, 74–77.

(62) Venuti, E.; Della Valle, R. G.; Bilotti, I.; Brillante, A.; Cavallini, M.; Calo, A.; Geerts, Y. H. Absorption, Photoluminescence, and Polarized Raman Spectra of a Fourfold Alkoxy-Substituted Phthalocyanine Liquid Crystal. The Journal of Physical Chemistry C 2011, 115 (24), 12150–12157.

(63) Girlando, A.; Grisanti, L.; Masino, M.; Brillante, A.; Della Valle, R. G.; Venuti, E. Interaction of Charge Carriers with Lattice and Molecular Phonons in Crystalline Pentacene. The Journal of chemical physics 2011, 135 (8), 084701.

(64) Bardwell, D. A.; Adjiman, C. S.; Arnautova, Y. A.; Bartashevich, E.; Boerrigter, S. X.; Braun, D. E.; Cruz-Cabeza, A. J.; Day, G. M.; Della Valle, R. G.; Desiraju, G. R.; others. Towards Crystal Structure Prediction of Complex Organic Compounds–a Report on the Fifth Blind Test. Acta Crystallographica Section B: Structural Science 2011, 67 (6), 535–551.

(65) Girlando, A.; Ianelli, S.; Bilotti, I.; Brillante, A.; Della Valle, R. G.; Venuti, E.; Campione, M.; Mora, S.; Silvestri, L.; Spearman, P.; others. Spectroscopic and Structural Characterization of Two Polymorphs of 1, 1, 4, 4-Tetraphenyl-1, 3-Butadiene. Crystal growth & design 2010, 10 (6), 2752–2758.

(66) Girlando, A.; Grisanti, L.; Masino, M.; Bilotti, I.; Brillante, A.; Della Valle, R. G.; Venuti, E. Peierls and Holstein Carrier-Phonon Coupling in Crystalline Rubrene. Physical Review B 2010, 82 (3), 035208.

(67) Costanzo, F.; Venuti, E.; Della Valle, R. G.; Brillante, A.; Silvestrelli, P. L. DFT Investigation of Oligothiophenes on a Si (001) Surface. The Journal of Physical Chemistry C 2010, 114 (47), 20068–20075.

(68) Ranzieri, P.; Girlando, A.; Tavazzi, S.; Campione, M.; Raimondo, L.; Bilotti, I.; Brillante, A.; Della Valle, R. G.; Venuti, E. Polymorphism and Phonon Dynamics of α-Quaterthiophene. ChemPhysChem 2009, 10 (4), 657–663.

(69) Martinelli, N. G.; Olivier, Y.; Athanasopoulos, S.; Ruiz Delgado, M.-C.; Pigg, K. R.; da Silva Filho, D. A.; Sánchez-Carrera, R. S.; Venuti, E.; Della Valle, R. G.; Brédas, J.-L.; others. Inside Cover: Influence of Intermolecular Vibrations on the Electronic Coupling in Organic Semiconductors: The Case of Anthracene and Perfluoropentacene (ChemPhysChem 13/2009). ChemPhysChem 2009, 10 (13), 2158–2158.

(70) Martinelli, N. G.; Olivier, Y.; Athanasopoulos, S.; Ruiz Delgado, M.-C.; Pigg, K. R.; da Silva Filho, D. A.; Sánchez-Carrera, R. S.; Venuti, E.; Della Valle, R. G.; Brédas, J.-L.; others. Influence of Intermolecular Vibrations on the Electronic Coupling in Organic Semiconductors: The Case of Anthracene and Perfluoropentacene. ChemPhysChem 2009, 10 (13), 2265–2273.

(71) Della Valle, R. G.; Venuti, E.; Brillante, A.; Girlando, A. Molecular Dynamics Simulations for a Pentacene Monolayer on Amorphous Silica. ChemPhysChem 2009, 10 (11), 1783–1788.

(72) Day, G. M.; Cooper, T. G.; Cruz-Cabeza, A. J.; Hejczyk, K. E.; Ammon, H. L.; Boerrigter, S. X.; Tan, J. S.; Della Valle, R. G.; Venuti, E.; Jose, J.; others. Significant Progress in Predicting the Crystal Structures of Small Organic Molecules–a Report on the Fourth Blind Test. Acta Crystallographica Section B: Structural Science 2009, 65 (2), 107–125.

(73) Day, G.; Cooper, T.; Cruz-Cabeza, A.; Hejczyk, K.; Ammon, H.; Boerrigter, S.; Tan, J.; Della Valle, R.; Venuti, E.; Jose, J.; others. Structural Science, Crystal Engineering and Materials. Structural Science 2009, 65 (Part 2).

(74) Venuti, E.; Bilotti, I.; Della Valle, R. G.; Brillante, A.; Masino, M.; Girlando, A. Polarized Raman Spectra of a Rubrene Single Crystal. The Journal of Physical Chemistry C 2008, 112 (44), 17416–17422.

(75) Girlando, A.; Masino, M.; Painelli, A.; Drichko, N.; Dressel, M.; Brillante, A.; Della Valle, R.; Venuti, E. Direct Evidence of Overdamped Peierls-Coupled Modes in the Temperature-Induced Phase Transition in Tetrathiafulvalene-Chloranil. Physical Review B 2008, 78 (4), 045103.

(76) Della Valle, R. G.; Venuti, E.; Brillante, A.; Girlando, A. Do Computed Crystal Structures of Nonpolar Molecules Depend on the Electrostatic Interactions? The Case of Tetracene. The Journal of Physical Chemistry A 2008, 112 (5), 1085–1089.

(77) Della Valle, R. G.; Venuti, E.; Brillante, A.; Girlando, A. Are Crystal Polymorphs Predictable? The Case of Sexithiophene. The Journal of Physical Chemistry A 2008, 112 (29), 6715–6722.

(78) Brillante, A.; Bilotti, I.; Della Valle, R. G.; Venuti, E.; Milita, S.; Dionigi, C.; Borgatti, F.; Lazar, A. N.; Biscarini, F.; Mas-Torrent, M.; others. The Four Polymorphic Modifications of the Semiconductor Dibenzo-Tetrathiafulvalene. CrystEngComm 2008, 10 (12), 1899–1909.

(79) Brillante, A.; Bilotti, I.; Della Valle, R. G.; Venuti, E.; Girlando, A. Probing Polymorphs of Organic Semiconductors by Lattice Phonon Raman Microscopy. CrystEngComm 2008, 10 (8), 937–946.

(80) Oehzelt, M.; Aichholzer, A.; Resel, R.; Heimel, G.; Venuti, E.; Della Valle, R. Crystal Structure of Oligoacenes under High Pressure. Physical Review B 2006, 74 (10), 104103.

(81) Masino, M.; Girlando, A.; Brillante, A.; Della Valle, R.; Venuti, E.; Drichko, N.; Dressel, M. Lattice Dynamics of TTF–CA across the Neutral–Ionic Transition. Chemical physics 2006, 325 (1), 71–77.

(82) Della Valle, R. G.; Venuti, E.; Brillante, A.; Girlando, A. Inherent Structures of Crystalline Tetracene. The Journal of Physical Chemistry A 2006, 110 (37), 10858–10862.

(83) Brillante, A.; Bilotti, I.; Biscarini, F.; Della Valle, R. G.; Venuti, E. Polymorphs of α-Sexithiophene Probed by Lattice Phonon Raman Microscopy. Chemical physics 2006, 328 (1–3), 125–131.

(84) Day, G.; Motherwell, W.; Ammon, H.; Boerrigter, S.; Della Valle, R.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; Van Eijck, B.; others. A Third Blind Test of Crystal Structure Prediction. Acta Crystallographica Section B: Structural Science 2005, 61 (5), 511–527.

(85) Brillante, A.; Della Valle, R. G.; Farina, L.; Venuti, E.; Cavazzoni, C.; Emerson, A. P.; Syassen, K. High-Pressure Dissociation of Crystalline Para-Diiodobenzene: Optical Experiments and Car- Parrinello Calculations. Journal of the American Chemical Society 2005, 127 (9), 3038–3043.

(86) Brillante, A.; Bilotti, I.; Della Valle, R. G.; Venuti, E.; Masino, M.; Girlando, A. Characterization of Phase Purity in Organic Semiconductors by Lattice-Phonon Confocal Raman Mapping: Application to Pentacene. Advanced Materials 2005, 17 (21), 2549–2553.

(87) Venuti, E.; Della Valle, R. G.; Farina, L.; Brillante, A.; Masino, M.; Girlando, A. Structure, Structural Phase Transitions, Mechanical Properties, Defects, Etc.-Phonons and Structures of Tetracene Polymorphs at Low Temperature and High Pressure. Physical Review-Section B-Condensed Matter 2004, 70 (10), 104106–104106.

(88) Venuti, E.; Della Valle, R. G.; Farina, L.; Brillante, A.; Masino, M.; Girlando, A. Phonons and Structures of Tetracene Polymorphs at Low Temperature and High Pressure. Physical Review B 2004, 70 (10), 104106.

(89) Valle, R. D.; Brillante, A.; Farina, L.; Venuti, E.; Masino, M.; Girlando, A. Organic Semiconductors: Polymorphism, Phonon Dynamics and Carrier-Phonon Coupling in Pentacene. Molecular Crystals and Liquid Crystals 2004, 416 (1), 145–154.

(90) Masino, M.; Girlando, A.; Brillante, A.; Farina, L.; Della Valle, R. G.; Venuti, E. Lattice Dynamics and Electron-Phonon Coupling in Pentacene Crystal Structures. In Macromolecular Symposia; Wiley Online Library, 2004; Vol. 212, pp 375–380.

(91) Masino, M.; Girlando, A.; Brillante, A.; Della Valle, R. G.; Venuti, E. High-Pressure Optical Study of the Neutral–Ionic Phase Transition in TTF-CA. Materials Science-Poland 2004, 22 (4).

(92) Girlando, A.; Masino, M.; Brillante, A.; Della Valle, R. G.; Venuti, E. Peierls Phonons in Organic Molecular Crystals and in Charge Transfer Salts. Materials Science-Poland 2004, 22 (4).

(93) Della Valle, R. G.; Venuti, E.; Farina, L.; Brillante, A.; Masino, M.; Girlando, A. Intramolecular and Low-Frequency Intermolecular Vibrations of Pentacene Polymorphs as a Function of Temperature. The Journal of Physical Chemistry B 2004, 108 (6), 1822–1826.

(94) Della Valle, R. G.; Brillante, A.; Venuti, E.; Farina, L.; Girlando, A.; Masino, M. Exploring the Polymorphism of Crystalline Pentacene. Organic electronics 2004, 5 (1–3), 1–6.

(95) Girlando, A.; Masino, M.; Brillante, A.; Della Valle, R. G.; Venuti, E. Pairing Mechanism in Organic Superconductors: The Entangled Role of Phonons. New Developments in Superconductivity Research, ed. Ross W. Stevens, Nova Science Publishers, New York 2003, 15.

(96) Girlando, A.; Masino, M.; Della Valle, R.; Brillante, A.; Venuti, E. Organic Superconductors: How Can We Increase the Critical Temperature? Synthetic metals 2003, 137 (1–3), 1273–1274.

(97) Farina, L.; Syassen, K.; Brillante, A.; Della Valle, R.; Venuti, E.; Karl, N. Pentacene at High Pressure. High Pressure Research 2003, 23 (3), 349–354.

(98) Farina, L.; Brillante, A.; Della Valle, R.; Venuti, E.; Amboage, M.; Syassen, K. Pressure-Induced Phase Transition in Pentacene. Chemical physics letters 2003, 375 (5–6), 490–494.

(99) Della Valle, R. G.; Venuti, E.; Brillante, A.; Girlando, A. Inherent Structures of Crystalline Pentacene. The Journal of chemical physics 2003, 118 (2), 807–815.

(100) Venuti, E.; Della Valle, R. G.; Brillante, A.; Masino, M.; Girlando, A. Probing Pentacene Polymorphs by Lattice Dynamics Calculations. Journal of the American Chemical Society 2002, 124 (10), 2128–2129.

(101) Masino, M.; Girlando, A.; Della Valle, R. G.; Venuti, E.; Farina, L.; Brillante, A. Temperature Evolution of Pentacene Crystal Structure and Phonon Dynamics. MRS Online Proceedings Library 2002, 725 (1), 1–6.

(102) Girlando, A.; Masino, M.; della Valle, R. G.; Venuti, E.; Brillante, A. Complex Phonon Pairing Mechanism in BEDT-TTF Organic Superconductors. In APS March Meeting Abstracts; 2002; pp F12-007.

(103) Girlando, A.; Masino, M.; Brillante, A.; Della Valle, R. G.; Venuti, E. BEDT-TTF Organic Superconductors: The Role of Phonons. Physical Review B 2002, 66 (10), 100507.

(104) Farina, L.; Venuti, E.; Biscarini, P.; Brillante, A. The Effect of Pressure on Vibrational Spectra of the Chiral Coordination Compound Ni [(R, R) Bdtp] 2. High Pressure Research 2002, 22 (1), 99–103.

(105) della Valle, R. G.; Venuti, E.; Brillante, A.; Masino, M.; Girlando, A. Pentacene Crystal Structures and Phonon Dynamics: Temperature Dependence. In APS March Meeting Abstracts; 2002; pp T11-003.

(106) Brillante, A.; Della Valle, R.; Farina, L.; Girlando, A.; Masino, M.; Venuti, E. Raman Phonon Spectra of Pentacene Polymorphs. Chemical physics letters 2002, 357 (1–2), 32–36.

(107) Venuti, E.; Della Valle, R. G.; Farina, L.; Brillante, A.; Vescovi, C.; Girlando, A. Temperature Dependence of Structure and Phonons of α-and β-TTF Crystals. Physical Chemistry Chemical Physics 2001, 3 (18), 4170–4175.

(108) Della Valle, R. G.; Venuti, E.; Farina, L.; Brillante, A. Coupling between Lattice and Intramolecular Modes in 9, 10-Dimethylanthracene: Raman Spectra under Pressure and Quasi-Harmonic Lattice Dynamics Calculations. Chemical Physics 2001, 273 (2–3), 197–206.

(109) Girlando, A.; Masino, M.; Visentini, G.; Della Valle, R. G.; Brillante, A.; Venuti, E. Lattice Dynamics and Electron-Phonon Coupling in the β-(BEDT- TTF) 2 I 3 Organic Superconductor. Physical Review B 2000, 62 (21), 14476.

(110) Girlando, A.; Masino, M.; Visentini, G.; Brillante, A.; Della Valle, R.; Venuti, E. Electron–Phonon Coupling in BEDT-TTF (ET) Superconductors. Synthetic metals 2000, 109 (1–3), 13–17.

(111) Farina, L.; Palazzi, L.; Venuti, E.; Della Valle, R.; Brillante, A. High-Pressure Raman Spectra of p-Diiodobenzene. The Journal of Physical Chemistry A 2000, 104 (47), 11070–11074.

(112) Della Valle, R. G.; Brillante, A.; Venuti, E.; Palazzi, L. Coupling between Intramolecular and Lattice Vibrations in Solid Para-Diiodobenzene. Chemical Physics Letters 2000, 325 (5–6), 599–604.

(113) Venuti, E.; Halonen, L.; Della Valle, R. High Dimensional Anharmonic Potential Energy Surfaces: The Case of Methane. The Journal of chemical physics 1999, 110 (15), 7339–7347.

(114) Venuti, E.; Halonen, L.; Della Valle, R. Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry-High Dimensional Anharmonic Potential Energy Surfaces: The Case of Methane. Journal of Chemical Physics 1999, 110 (15), 7339–7347.

(115) Lonardo, G. D.; Fusina, L.; Venuti, E.; Johns, J.; Idrissi, M. E.; Lievin, J.; Herman, M. Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry-The Vibrational Energy Pattern in Acetylene. V. 13C2H2. Journal of Chemical Physics 1999, 111 (3), 1008–1016.

(116) Gazzillo, D.; Giacometti, A.; Valle, R. G. D.; Venuti, E.; Carsughi, F. Polymers, Biopolymers, and Complex Systems-A Scaling Approximation for Structure Factors in the Integral Equation Theory of Polydisperse Nonionic Colloidal Fluids. Journal of Chemical Physics 1999, 111 (16), 7636–7645.

(117) Gazzillo, D.; Giacometti, A.; Guido Della Valle, R.; Venuti, E.; Carsughi, F. A Scaling Approximation for Structure Factors in the Integral Equation Theory of Polydisperse Nonionic Colloidal Fluids. The Journal of chemical physics 1999, 111 (16), 7636–7645.

(118) Di Lonardo, G.; Fusina, L.; Venuti, E.; Johns, J. W.; El Idrissi, M.; Liévin, J.; Herman, M. The Vibrational Energy Pattern in Acetylene. V. 13 C 2 H 2. The Journal of chemical physics 1999, 111 (3), 1008–1016.

(119) Della Valle, R. G.; Halonen, L.; Venuti, E. Molecular Anharmonicity: A Computer-Aided Treatment. Journal of computational chemistry 1999, 20 (16), 1716–1730.

(120) Della Valle, R. G.; Venuti, E. Quasiharmonic Lattice-Dynamics and Molecular-Dynamics Calculations for the Lennard-Jones Solids. Physical Review B 1998, 58 (1), 206.

(121) Della Valle, R. G.; Venuti, E. Dynamics, Dynamical Systems, Lattice Effects, Quantum Solids, Etc. Quasiharmonic Lattice-Dynamics and Molecular-Dynamics Calculations for the Lennard-Jones Solids. Physical Review-Section B-Condensed Matter 1998, 58 (1), 206–212.

(122) Brillante, A.; Della Valle, R.; Girlando, A.; Paineffi, A.; Venuti, E. Intermolecular Phonons in BEDT-TTF Crystals. Synthetic metals 1997, 85 (1–3), 1561–1562.

(123) Della Valle, R. G.; Venuti, E.; Brillante, A. Quasi Harmonic Lattice Dynamics: The Phase Diagram of Benzene. Chemical physics 1996, 202 (2–3), 231–241.

(124) Della Valle, R. G.; Venuti, E.; Brillante, A. Quasi Harmonic Lattice Dynamics vs Molecular Dynamics: Thermal Expansion of Solid Argon. Gazzetta chimica italiana 1996, 126, 615–618.

(125) Della Valle, R. G.; Venuti, E. High-Pressure Densification of Silica Glass: A Molecular-Dynamics Simulation. Physical Review B 1996, 54 (6), 3809.

(126) Bellini, M.; Catacchini, E.; De Natale, P.; Di Lonardo, G.; Fusina, L.; Inguscio, M.; Venuti, E. Stark and Frequency Measurements in the FIR Spectrum of H2O2. Journal of Molecular Spectroscopy 1996, 177 (1), 115–123.

(127) Venuti, E.; Di Lonardo, G.; Ferracuti, P.; Fusina, L.; Mills, I. Vibration-Rotation Spectra of 13C Containing Acetylene: Anharmonic Resonances. Chemical physics 1995, 190 (2–3), 279–290.

(128) Della Valle, R. G.; Venuti, E.; Brillante, A. Pressure and Temperature Effects in Lattice Dynamics: The Case of Naphthalene. Chemical physics 1995, 198 (1–2), 79–89.

(129) Brillante, A.; Della Valle, R.; Venuti, E. Raman Phonon Spectra and Lattice Dynamics of 7-Methoxycoumarin under Pressure. Chemical physics letters 1995, 246 (6), 619–625.

(130) Brillante, A.; Della Valle, R.; Farina, R.; Venuti, E. Pressure-Induced Phase Transitions in 9, 10-Anthracene Derivatives: Anthraquinone. Chemical physics 1995, 191 (1–3), 177–184.

(131) Alboni, F.; Dilonardo, G.; Ferracuti, P.; Fusina, L.; Venuti, E.; Mohamed, K. Vibration-Rotation Spectra of 13C-Containing Acetylene: The Stretching Fundamentals. Journal of Molecular Spectroscopy 1995, 169 (1), 148–153.

(132) DiLonardo, G.; Ferracuti, P.; Fusina, L.; Venuti, E. Vibration-Rotation Spectra of 13C-Containing Acetylene: The Ν1/Ν2+ 2ν5 Fermi Dyad. Journal of Molecular Spectroscopy 1994, 164 (1), 219–232.

(133) Di Lonardo, G.; Ferracuti, P.; Fusina, L.; Venuti, E. Vibration-Rotation Spectra of [Sup 13] C-Containing Acetylene: The [Nu][Sub 1]/[Nu][Sub 2]+ 2 [Nu][Sub 5] Fermi Dyad. Journal of Molecular Spectroscopy;(United States) 1994, 164 (1).

(134) Della Valle, R. G.; Venuti, E. A Molecular Dynamics Study of the Vibrational Properties of Silica Glass. Chemical physics 1994, 179 (3), 411–419.

(135) Brillante, A.; Cau, M.; Della Valle, R.; Venuti, E. The Effect of Pressure on the Photodimerization of 7-Methoxycoumarin Crystal. Chemical physics letters 1994, 218 (5–6), 568–573.

(136) Dilonardo, G.; Ferracuti, P.; Fusina, L.; Venuti, E.; Johns, J. Vibration-Rotation Spectra of 13C Containing Acetylene: I. The Bending States up to V4+ V5= 2. Journal of Molecular Spectroscopy 1993, 161 (2), 466–486.

(137) Venuti, E.; Salvi, P. R.; Cardini, G. An Intra-Molecular Potential for S8. Journal of molecular structure 1992, 266, 229–234.

(138) Venuti, E.; Marconi, G. Calculation of Duschinsky Effect in Phenol. Journal of molecular structure 1992, 266, 235–239.

(139) Venuti, E.; Cardini, G.; Castellucci, E. A Molecular Dynamics Simulation of Crystalline S8. Chemical physics 1992, 165 (2–3), 313–322.

(140) Mareuni, G.; Venuti, E. Mechanisms of Deactivation of the Low-Lying Electronic Slates of 2, 2-Bipyridine. 1990.

(141) Grabner, G.; Koehler, G. +; Marconi, G.; Monti, S.; Venuti, E. Photophysical Properties of Methylated Phenols in Nonpolar Solvents. Journal of Physical Chemistry 1990, 94 (9), 3609–3613.

(142) Castellucci, E.; Angeloni, L.; Marconi, G.; Venuti, E.; Baraldi, I. Mechanisms of Deactivation of the Low-Lying Electronic States of 2, 2’-Bipyridine. Journal of Physical Chemistry 1990, 94 (5), 1740–1745.

(143) Venuti, E.; Marconi, G. Theoretical Studies on the Two-Photon Vibronic Spectra of Azines: Pyridine, Pyrazine and Pyrimidine. Chemical physics 1988, 125 (1), 1–9.

(144) Marconi, G.; Venuti, E. Vibronic Activity in the Two-Photon Spectrum of Pyrimidine. Journal of Molecular Structure 1988, 175, 153–158.