PHOTOELECTRON-SPECTRA AND AB-INITIO CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF AMINO-N-SULFENYL CHLORIDES

The electronic structure of some amino-N-sulfenyl chlorides and relate d compounds is studied by photoelectron spectroscopy and ab initio cal culations. Similar values of IP(n(S)) and IP(n(N)) and the total energ y minimum indicate that in stable conformations the n(S) and n(N) orbi tals are orthogonal. These conformers are characterized by an effectiv e n(N)-sigmaS-Cl interaction. The relationship between the intramolec ular shift of charge and ionization potential values and the spatial s tructure of amino-N-sulfenyl chlorides is analyzed.