The Bromide–Carbon Monoxide Gas Phase Complex: Anion Photoelectron Spectroscopy and Ab Initio Calculations
Kim M. Lapere A , Rob J. LaMacchia A , Lin Hian Quak A , Marcus Kettner A , Stephen G. Dale A , Allan J. McKinley A and Duncan A. Wild A B
+ Author Affiliations
- Author Affiliations
A Chemistry, M313, School of Biomedical, Biomolecular, and Chemical Sciences, The University of Western Australia, Crawley WA 6009, Australia.
B Corresponding author. Email: duncan.wild@uwa.edu.au
Australian Journal of Chemistry 65(5) 457-462 https://doi.org/10.1071/CH12007
Submitted: 10 January 2012 Accepted: 23 January 2012 Published: 13 March 2012
Abstract
The anion photoelectron spectrum of the bromide–carbon monoxide complex is presented in combination with supporting ab initio calculations. The spectrum features transitions between anion and neutral van der Waals complexes, Br⋯CO. A stabilization energy of 0.14 ± 0.05 eV is extracted from the spectrum, while the predicted binding energy for the anion complex is 9.9 kJ mol–1 from CCSD(T)/aug-cc-pVTZ calculations. The electron affinity of the Br⋯CO complex is 3.50 ± 0.05 eV. The ab initio calculations reveal a previously unreported minimum for the neutral radical complex, namely the van der Waals Br⋯OC linear complex.
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