Detection of a higher energy isomer of the CO–N2O van der Waals complex and determination of two of its intermolecular frequencies. Issue 2 (19th December 2016)

• Record Type: Journal Article
• Authors: Barclay, A. J.; Lauzin, C.; Sheybani-Deloui, S.; Michaelian, K. H.; Moazzen-Ahmadi, N.
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 2(2017)
• Page Start: 1610
• Page End: 1613
• Publication Date: 2016-12-19
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp08001d
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Infrared spectra in the carbon monoxide CO stretch region (∼2150 cm −1 ) and in the ν3 asymmetric stretch region of N2 O (∼2223 cm −1 ) are assigned to the previously unobserved O-bonded form of the CO–N2 O dimer ("isomer 2"). Abstract : Infrared spectra in the carbon monoxide CO stretch region (∼2150 cm −1 ) and in the ν3 asymmetric stretch region of N2 O (∼2223 cm −1 ) are assigned to the previously unobserved O-bonded form of the CO–N2 O 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–N2 O.