Quantum chemical studies on colour and stereodynamics of acyclic azines: Part IX. The coupled NN rotation/N inversion mechanism for the thermal (E,Z) isomerization of benzaldazine

K Gustav,S Vettermann

doi:10.1016/0166-1280(82)80174-7

Quantum chemical studies on colour and stereodynamics of acyclic azines: Part IX. The coupled NN rotation/N inversion mechanism for the thermal (E,Z) isomerization of benzaldazine

K Gustav, S Vettermann

https://doi.org/10.1016/0166-1280(82)80174-7

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Journal: Journal of Molecular Structure: THEOCHEM	Publication Date: Aug 1, 1982
Citations: 7

Affiliation: Schiller International University

#Acyclic Azines #NDDO Calculations + Show 7 more

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Abstract

NDDO calculations have been done for the thermal (E,Z) isomerization of benzaldazine, a suitable model compound for aryl substituted acyclic azines. The process considered is a coupled NN rotation/N inversion mechanism. It is composed of an NN rotation followed by an N inversion motion and completed by the NN rotation.

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