✦ LIBER ✦

Sulphur dicyanide: ionisation potentials and Hartree-Fock calculations

✍ Scribed by P. Rosmus; H. Stafast; H. Bock

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 421 KB
Volume: 34
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)85272-9

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✦ Synopsis

The neon(I), helium(f) and helium(U) photoelectron spectra of sulphur dicyanide have been recorded at high restlution. Their assignment is attempted on the basis of an ab initio Hartree-Fock calculation, changes in photoionisation cross sections, resolved vibrational fine structures and comparison with PE spectra of other cyan0 compounds. In accordance with the interpretation of the S(CN& micro~xve spectrum, n lower Hartree-Fock ener~ :esults for bent SCN linbgcs than for linev SCN nrranga-nent. The loc&ed molecular orbit& suggest some episuulphide ring conttibution to the dominant open-chai? structure of S(Ctr)2.

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