Low-Temperature Matrix Isolation Studies of BCl(N3)2:  Infrared Spectra and Photolysis Processes

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 103; no. 48; pp. 9661 - 9668
• Main Authors: Travers, Michael J, Eldenburg, Erika L, Gilbert, Julanna V
• Format: Journal Article
• Language: English
• Published: American Chemical Society 02-12-1999
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp991898l

BCl(N3)2 was isolated in a low-temperature argon matrix and its FTIR spectrum measured. The splitting due to the natural abundances of 10B and 11B and ab initio calculations of the ground-state frequencies support the identification of the IR spectrum. The observed frequencies for the 10B species are 2165, 2161, 1371, 1354, and 1029 cm-1. Upon UV photolysis, the BCl(N3)2 peaks decreased, and new peaks appeared at 1677 and 1724 cm-1 with a 4:1 intensity ratio, indicating a single B atom containing molecule. Based on ab initio calculations, the known photolysis mechanisms for similar compounds and the isotopic splitting, these peaks are assigned as the ring-breathing mode in ClBN2, a compound in which the B and the two N atoms form a three-membered ring.