High-resolution infrared spectroscopy of DF trimer: A cyclic ground state structure and DF stretch induced intramolecular vibrational coupling

Suhm, Martin A., Farrell, John T., Ashworth, Stephen H. and Nesbitt, David J. (1993) High-resolution infrared spectroscopy of DF trimer: A cyclic ground state structure and DF stretch induced intramolecular vibrational coupling. The Journal of Chemical Physics, 98 (7). pp. 5985-5989. ISSN 0021-9606

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Abstract

We present high resolution, infrared laser absorption spectra of (DF) 3 in a slit supersonic jet expansion. In contrast to previous structureless near IR spectra of (HF)3, the (DF)3 data reveal clear rotational structure characteristic of a cyclic, 6-membered "ring," and therefore provide the first accurate experimental evidence for the equilibrium geometry of any hydrogen fluoride oligomer beyond the well-studied dimer. Furthermore, the spectra display homogeneous rotational fine structure 2-3 orders of magnitude in excess of what could be anticipated from a single vibrational band. Analysis of this fine structure elucidates a novel IVR mechanism which involves single hydrogen bond cleavage, and consequent opening of the (DF)3 ring on the 40 ps time scale.

Item Type:	Article
Uncontrolled Keywords:	physics and astronomy(all),physical and theoretical chemistry ,/dk/atira/pure/subjectarea/asjc/3100
Faculty \ School:	Faculty of Science > School of Engineering, Mathematics and Physics
UEA Research Groups:	Faculty of Science > Research Groups > Centre for Ocean and Atmospheric Sciences
Related URLs:	http://www.scopus.com/inward/record.url?...
Depositing User:	LivePure Connector
Date Deposited:	30 Jun 2025 14:30
Last Modified:	30 Jun 2025 14:30
URI:	https://ueaeprints.uea.ac.uk/id/eprint/99788
DOI:	10.1063/1.464860

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