𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The electronic structure of some sulphur-containing heterocycles

✍ Scribed by Michael H. Palmer; Robert H. Findlay

Publisher
Elsevier Science
Year
1972
Tongue
French
Weight
187 KB
Volume
13
Category
Article
ISSN
0040-4039

No coin nor oath required. For personal study only.

✦ Synopsis

The question of whether d-orbital8 play an important role in the ground state bonding of the compounds thiophene (l), 1, 3-dithiolium cation (Z), 1, 2-dithiolium cation (3), thiapyrylium cation (4) and thiathiophthene (5) has aroused much controversy. l-4 We now report a series of non-empirical calculations for these molecules.

πŸ“œ SIMILAR VOLUMES

Energetics of some sulphur heterocycles
Energetics of some sulphur heterocycles
✍ M. A. V. Ribeiro da Silva; Ana Filipa L. O. M. Santos πŸ“‚ Article πŸ“… 2009 πŸ› Springer Netherlands 🌐 English βš– 435 KB
The electronic structure of oxygen and s
The electronic structure of oxygen and sulfur heterocycles
✍ D.S. Sappenfield; M. Kreevoy πŸ“‚ Article πŸ“… 1963 πŸ› Elsevier Science 🌐 French βš– 864 KB

The method of Pariser and Parr has been applied to furan, thiophene, and 1,4-dithiadiene with a minimum of additional approximations and assumptions. It is possible to reproduce the spectra, dipole moments, resonance energies and reactivities of these molecules with a small number of adjusted parame