An ab initio investigation of N2⋯CO+
- 1 January 1987
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 83 (9) , 1609-1614
- https://doi.org/10.1039/f29878301609
Abstract
Recent experiments have indicated that the interaction between CO+ and N2 is fairly strong; certainly stronger than would be expected from electrostatic considerations alone. We present calculations using ab initio molecular orbital theory that support the experimental findings, suggesting a binding between CO+ and N2 of the order of 100 kJ mol–1. However, most of this binding is the result of long-range interactions and there is little evidence for the formation of an incipient ‘chemical bond’.Keywords
This publication has 0 references indexed in Scilit: