Charge Transfer in Molecular Cocrystals: A Plane Wave vs Localized-Orbital View─Structural Information Obtained from Calculated Raman and IR Phonons-Reference-Cited by-同舟云学术

Charge Transfer in Molecular Cocrystals: A Plane Wave vs Localized-Orbital View─Structural Information Obtained from Calculated Raman and IR Phonons

Published:2024-08-10 Issue:33 Volume:128 Page:14046-14055
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Biffoli Fabio¹²^ORCID,Vanossi Davide³,Venuti Elisabetta⁴^ORCID,Salzillo Tommaso⁴^ORCID,Bonechi Marco¹^ORCID,Innocenti Massimo¹⁵⁶,Pagliai Marco¹^ORCID,Fontanesi Claudio⁵⁷^ORCID

Affiliation:

1. Department of Chemistry, “Ugo Schiff”, University of Firenze, via della Lastruccia 3, Sesto Fiorentino, Firenze 50019, Italy

2. Materia Firenze Lab s.r.l., Gruppo Materia Firenze, Via delle Fonti 8/E, Scandicci (FI), Firenze 50018, Italy

3. Department of Chemical and Geological Science, DSCG, University of Modena and Reggio Emilia, via Campi 103, Modena 41125, Italy

4. Department of Industrial Chemistry “Toso Montanari”, INSTM-UdR Bologna, Via Gobetti 85, Bologna 40129, Italy

5. National Interuniversity Consortium of Materials Science and Technology (INSTM), Via G. Giusti 9, Firenze 50121, Italy

6. Center for Colloid and Surface Science (CSGI), Via della Lastruccia 3, Sesto Fiorentino (FI), Firenze 50019, Italy

7. Department of Engineering “Enzo Ferrari”, (DIEF), University of Modena and Reggio Emilia, Via vivarelli 10, Modena 41125, Italy

Funder

Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali

European Commission

Fondazione Cassa di Risparmio di Firenze

Fondazione Cassa di Risparmio di Modena

Ministero dell'Università e della Ricerca

Confindustria Firenze

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.4c03470

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