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Investigation of the molecular structure of catechol by combined microwave spectroscopy and AB initio calculations

✍ Scribed by Walther Caminati; Salvatore Di Bernardo; Lothar Schäfer; Susan Q. Kulp-Newton; Khamis Siam


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
697 KB
Volume
240
Category
Article
ISSN
0022-2860

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Molecular structure and vibrational spec
✍ Jerzy Leszczynski; Michael C. Zerner 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 419 KB

The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th