MOLCAO calculations on some sulphur-containing π-electron systems

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ID: 274378
1969
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Abstract
Pariser–Pople–Parr calculations are performed on a number of π-electron systems containing sulphur, oxygen, and nitrogen as heteroatoms. Results are compared with experimental u.v. spectra. It appears that sulphur can be treated as a ‘normal’ heteroatom also in those cases where there is no C–C conjugation at all (xanthates and thiocarbamates). VESCF calculations are also performed on some of the molecules investigated.
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bossa1969journalmolcao1 Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors M. Bossa;M. Bossa;
Journal journal of the chemical society b: physical organic
Year 1969
DOI
10.1039/j29690001182
URL
https://sciprofiles.com/publication/view/6aaf305cafa26cab78fa29da6b399d88
Keywords
nitrogen sulphur containing electron systems π electron experimental u.v molecules investigated vescf calculations molcao calculations

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