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Mcsoionic purinone analogs. I. Initial theoretical considerations

Mcsoionic purinone analogs. I. Initial theoretical considerations Thirty mesoionic analogs of purin‐6‐one, ‐2‐one and ‐2,6‐dione have been formulated based upon reported simple monocyclie mesoionic systems and factors influencing their stability. lluckel molecular orbital calculations were performed for these structures employing the ω, ω′ ‐technique and the variation of resonance integrals with bond orders. The results provide predictions concerning the properties and stability of the analogs, assist the determination of reasonable synthetic goals, and serve as input for more sophisticated theoretical treatments. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Heterocyclic Chemistry Wiley

Mcsoionic purinone analogs. I. Initial theoretical considerations

Journal of Heterocyclic Chemistry , Volume 8 (6) – Dec 1, 1971

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References (27)

Publisher
Wiley
Copyright
Copyright © 1971 Journal of Heterocyclic Chemistry
ISSN
0022-152X
eISSN
1943-5193
DOI
10.1002/jhet.5570080601
Publisher site
See Article on Publisher Site

Abstract

Thirty mesoionic analogs of purin‐6‐one, ‐2‐one and ‐2,6‐dione have been formulated based upon reported simple monocyclie mesoionic systems and factors influencing their stability. lluckel molecular orbital calculations were performed for these structures employing the ω, ω′ ‐technique and the variation of resonance integrals with bond orders. The results provide predictions concerning the properties and stability of the analogs, assist the determination of reasonable synthetic goals, and serve as input for more sophisticated theoretical treatments.

Journal

Journal of Heterocyclic ChemistryWiley

Published: Dec 1, 1971

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