Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase-Reference-Cited by-同舟云学术

Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase

Published:2021 Issue:38 Volume:23 Page:21623-21640
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hartwig Beppo¹^ORCID,Suhm Martin A.¹^ORCID

Affiliation:

1. Institut für Physikalische Chemie, Tammannstr. 6, Göttingen, Germany

Abstract

The correlation between substitution and OH vibrational frequency in vicinal diols is explored experimentally and the DFT performance in describing the trends is analysed.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03367K

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