Structure of benzene from mass-correlated rotational Raman spectroscopy. Issue 33 (3rd August 2022)

• Record Type: Journal Article
• Authors: Heo, In; Lee, Jong Chan; Özer, Begüm Rukiye; Schultz, Thomas
• Is Part Of: RSC advances. Volume 12:Issue 33(2022)
• Page Start: 21406
• Page End: 21416
• Publication Date: 2022-08-03
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d2ra03431j
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : We present high resolution rotational Raman spectra and derived geometry parameters for benzene isotopologues. Rotational Raman spectra with sub-5 MHz resolution were obtained via high-resolution mass-correlated rotational alignment 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 C6 H6, 13 C–C5 H6, C6 D6, and 13 C–C5 D6 were distinguished through their correlated mass information. Spectra for 13 C6 H6 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.