MNDO Study of Nitrogen Atom Inversion in Piperazine, N,N'-Dimethylpiperazine and N,N'-Dichloropiperazine

Issa Yavari; Davood Bori Shargh; Hossein Fallah Bagher Shaidaii; Mohsen Dadgar

Iranian Journal of Chemistry & Chemical Engineering (Dec 1997)

MNDO Study of Nitrogen Atom Inversion in Piperazine, N,N'-Dimethylpiperazine and N,N'-Dichloropiperazine

Issa Yavari,
Davood Bori Shargh,
Hossein Fallah Bagher Shaidaii,
Mohsen Dadgar

Affiliations

Issa Yavari: Department of Chemistry, Tarbiat Modarres University, P.O. Box 14155-4838, Tehran, I.R. IRAN
Davood Bori Shargh: Department of Chemistry, Science and Research Branch, Islamic Azad University, P.O. Box 19395-1775, Tehran, I.R. IRAN
Hossein Fallah Bagher Shaidaii: Department of Chemistry, Science and Research Branch, Islamic Azad University, P.O. Box 19395-1775, Tehran, I.R. IRAN
Mohsen Dadgar: Department of Chemistry, Science and Research Branch, Islamic Azad University, P.O. Box 19395-1775, Tehran, I.R. IRAN

Journal volume & issue: Vol. 16, no. 2
pp. 63 – 67

Abstract

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MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.

Published in Iranian Journal of Chemistry & Chemical Engineering

ISSN: 1021-9986 (Print)
Publisher: Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
Country of publisher: Iran, Islamic Republic of
LCC subjects: Technology: Chemical technology: Chemical engineering; Science: Chemistry
Website: http://www.ijcce.ac.ir

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