Original scientific paper

Molecular Orbital Calculations for the Three Isomeric Thiophthenes

N . Trinajstić ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia
A. Hinchliffe ; University of Sussex, Chemical Laboratory, Brighton, Sussex, England

Abstract

Molecular orbital calculations in the framework of the Paris
er-Parr and Pople theory is applied to some of th e ground state
properties and to the UV spectra od 1,4-thiophthene, 1,5-thiophthene,
and 1,6-thiophthene. Goo d agr ee ment w as obtaine d between the
observed and calculated values for the first it - it* electron transitions
in the three molecules studied. An assig n ement of the spectra
is proposed.

Keywords

Hrčak ID:

208097

URI

https://hrcak.srce.hr/208097

Publication date:

10.8.1967.

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