Low-temperature matrix isolation and photolysis of BCl2N3: Spectroscopic identification of the photolysis product ClBNCl

BCl2N3 was isolated in a low-temperature argon matrix, and its FTIR spectru m was measured. Ab initio calculations were carried out to support the iden tification of the IR spectrum, and splitting due to the natural abundances of B-10 and B-11 was observed. The experimental infrared frequencies and as signments are as follows: 2170 cm(-1), the N-3 asymmetric stretch; 1350 cm( -1), the BN stretch; 1053 cm(-1), the N-3 symmetric stretch; 968 cm(-1), th e BCl stretch. Upon UV photolysis, the BCl2N3 peaks decreased and new peaks at 2034 and 2087 cm(-1) with relative integrated intensities of 4:1 appear ed. Ab initio calculations were carried out and support the assignment of t hese features to the BN stretches in the B-10 and B-11 isotopomers of CIBNC l. This intermediate is consistent with the photolytic intermediate generat ed during the photolysis of Bi(N-3)(3), and the photolytic mechanism is dis cussed.