Abstract
Abstract MO calculations were carried out for CH3SCl, C6H5SCl, and related compounds with the S–Cl group by the CNDO/2 or the ASMO-SCF method. The absorption bands in the 300–400 nm region observed were assigned to the σS-Cl*←nS transition in view of transition energy and oscillator strength. Such characteristic bands are attributed to the extraordinarily low energy level of the σS-Cl* orbital.
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