Mid Infrared Investigation of Two Isomers of the CO-N2O van der Waals Complex

Infrared spectra in the carbon monoxide CO stretch region (~2150 cm−1) and in the nu3 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°. In addition to the fundamental band, combination bands for both isomers are observed and intermolecular frequencies for the out of plane torsion and the in-plane CO-rock, or disrotatory bend are reported. Vibrational assignment of these bands is achieved by comparison with data recently published (A. Barclay et al., Chem. Phys. Letters, 651 (2016) 62), concerning OC-CO2. We show that the most recent ab initio potential energy surface is inadequate in predicting the intermolecular frequencies for both isomers (CO-N2O and OC-N2O).

Name thesis:degree_name

Master of Science (MSc)

Discipline thesis:degree_discipline

Physics and Astronomy

Grantor dc:publisher.institution

Graduate Studies

Year dc:date.issued

2017

Author dc:creator

• Barclay, Aaron

Advisor dc:contributor.advisor

• Moazzen-Ahmadi, Nasser

Committee members dc:contributor.committeemember

• Heyne, Belinda Josiane M.
• Thompson, Robert Ian
• Jackel, Brian

• Education--Sciences

Statement dc:rights

• University of Calgary graduate students retain copyright ownership and moral rights for their thesis. You may use this material in any way that is permitted by the Copyright Act or through licensing that has been assigned to the document. For uses that are not allowable under copyright legislation or licensing, you are required to seek permission.

Language dc:language.iso

eng

DOI

http://dx.doi.org/10.11575/PRISM/26913

OAI identifier oai:identifier

oai:ucalgary.scholaris.ca:11023/3978