NDLI: Detection of a higher energy isomer of the CO–N<sub>2</sub>O van der Waals complex and determination of two of its intermolecular frequencies

Content Provider	Royal Society of Chemistry (RSC)
Author	Barclay, A. J. Lauzin, C. Moazzen-Ahmadi, N. Sheybani-Deloui, S. Michaelian, K. H.
Copyright Year	2017
Abstract	Infrared spectra in the carbon monoxide CO stretch region (∼2150 cm−1) and in the ν3 asymmetric stretch region of N2O (∼2223 cm−1) are assigned to the previously unobserved O-bonded form of the CO–N2O dimer (“isomer 2”). This van der Waals complex has a planar skewed T-shaped structure like that of the previously observed C-bonded form (“isomer 1”), but with the CO rotated by 180°. The effective intermolecular distance between the centers of mass is 3.51 Å for isomer 2 as compared to 3.88 Å for isomer 1. In addition to the fundamental band, two combination bands are observed for isomer 2, yielding values for two intermolecular vibrational modes: 14.502(5) cm−1 for the coupled disrotatory motion or the uncoupled CO rock and 21.219(5) cm−1 for the out-of-plane rock. We show that the published ab initio study on this system is inadequate in predicting the intermolecular frequencies for isomer 2 of CO–N2O.
Starting Page	1610
Ending Page	1613
Page Count	4
File Format	HTM / HTML PDF
ISSN	14639076
Volume Number	19
Issue Number	2
Journal	Physical Chemistry Chemical Physics
DOI	10.1039/c6cp08001d
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	der Waals Rock music Conrotatory and disrotatory Carbon monoxide Protein dimer Van der Waals force Isomer Ab initio quantum chemistry methods
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Physical and Theoretical Chemistry

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