Issue 33, 2022, Issue in Progress

Structure of benzene from mass-correlated rotational Raman spectroscopy

Abstract

We present high resolution rotational Raman spectra and derived geometry parameters for benzene. Rotational Raman spectra with sub-5 MHz resolution were obtained via high-resolution mass-correlated rotational alignment spectroscopy. Isotopologue spectra for C6H6, 13C–C5H6, C6D6, and 13C–C5D6 were distinguished through their correlated mass information. Spectra for 13C6H6 were obtained with lower resolution. Equilibrium and effective bond lengths were estimated from measured inertial moments, based on explicit assumptions and approximations. We discuss the origin of significant bias in previously published geometry parameters and the possibility to derive H,D isotope-specific bond lengths from purely experimental data.

Graphical abstract: Structure of benzene from mass-correlated rotational Raman spectroscopy

Supplementary files

Article information

Article type
Paper
Submitted
02 Jun 2022
Accepted
23 Jun 2022
First published
03 Aug 2022
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2022,12, 21406-21416

Structure of benzene from mass-correlated rotational Raman spectroscopy

I. Heo, J. C. Lee, B. R. Özer and T. Schultz, RSC Adv., 2022, 12, 21406 DOI: 10.1039/D2RA03431J

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