Triaziridines. Part V. A semiempirical MNDO study of nitrogen inversion and amide rotation in Formyltriaziridines

1986 ◽  
Vol 69 (6) ◽  
pp. 1461-1468 ◽  
Author(s):  
Jos� Kaneti ◽  
Lienhard Hoesch ◽  
Andr� S. Dreiding
Keyword(s):  
Nitrogen Inversion ◽  
Amide Rotation ◽  
Semiempirical Mndo

On the Structure of Lead(II) Complexes in Aqueous Solutions. I. Trinuclear Clusters

1995 ◽  
Vol 60 (4) ◽  
pp. 527-536 ◽  
Author(s):  
Martin Breza ◽  
Alena Manová
Keyword(s):  
Quantum Chemistry ◽  
Aqueous Solutions ◽  
Electronic Structures ◽  
Mndo Method ◽  
Model Systems ◽  
Trinuclear Clusters ◽  
The Stability ◽  
Semiempirical Mndo

Using semiempirical MNDO method of quantum chemistry the optimal geometries and corresponding electronic structures of [Pb3(OH)n]6-n model systems as well as of their hydrated [Pb3(OH)n(H2O)8-n]6-n analogues (n = 4, 5) are investigated. The most stable trinuclear lead(II) complexes present in aqueous solutions correspond to cyclo-(μ3-OH)(μ2-OH)3Pb32+, Pb(μ-OH)2Pb(μ-OH)2Pb2+, cyclo-(μ3-OH)2(μ2-OH)3Pb3+, Pb(OH)(μ-OH)2Pb(μ-OH)Pb(OH)+ and Pb(OH)(μ-OH)2Pb(μ-OH)2Pb+ systems. The key role of OH bridges (by vanishing direct Pb-Pb bonds) on the stability of individual isomers is discussed.

Importance of transition-state steric strain in the nitrogen inversion of hydrazines

1974 ◽  
pp. 823 ◽  
Author(s):  
Victor J. Baker ◽  
Alan R. Katritzky ◽  
Jean-Pierre Majoral ◽  
Stephen F. Nelsen ◽  
Patrick J. Hintz
Keyword(s):  
Transition State ◽  
Steric Strain ◽  
Nitrogen Inversion

Sterically hindered nitrogen inversion in five-membered cyclic hydrazines

2002 ◽  
Vol 12 (5) ◽  
pp. 189-192 ◽  
Author(s):  
Sergey V. Usachev ◽  
Grygorii A. Nikiforov ◽  
Yurii A. Strelenko ◽  
Pavel A. Belyakov ◽  
Ivan I. Chervin ◽  
...  
Keyword(s):  
Nitrogen Inversion ◽  
Sterically Hindered
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