IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions

Yan, Juchao; Wilson, Reid W.; Buck, Jason T.; Grills, David C.; Reinheimer, Eric W.; Mani, Tomoyasu

doi:10.1039/D1SC03455C

IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions

Journal Article · Wed Sep 22 00:00:00 EDT 2021 · Chemical Science

DOI:https://doi.org/10.1039/D1SC03455C· OSTI ID:1813631

^[1]; ^[2]; Buck, Jason T. ^[2]; ^[3]; ^[4]; ^[2]

Department of Physical Sciences, Eastern New Mexico University, Portales, NM 88130, USA
Department of Chemistry, University of Connecticut, Storrs, CT 06269-3060, USA
Chemistry Division, Brookhaven National Laboratory, Upton, NY 11973-5000, USA
Rigaku Americas Corporation, 9009 New Trails Drive, The Woodlands, TX 77381, USA

Quantification of the intensity and linewidth of the ν (CN) IR band in a series of neutral and anionic nitrile-functionalized oligophenylenes reveals that the CN vibration is coupled to nuclear and electronic structural changes.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS)

Grant/Contract Number:: SC0012704

OSTI ID:: 1813631

Alternate ID(s):: OSTI ID: 1813956

Report Number(s):: BNL--222008-2021-JAAM

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 36 Vol. 12; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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