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 related compounds is studied by photoelectron spectroscopy and ab initio calculations. Similar values of IP(n(S)) and IP(n(N)) and the total energy minimum indicate that in stable conformations the n(S) and n(N) orbitals are orthogonal. These conformers are characterized by an effective n(N)-sigma*S-Cl interaction. The relationship between the intramolecular shift of charge and ionization potential values and the spatial structure of amino-N-sulfenyl chlorides is analyzed.