Nature of the N–P torsional process in aminophosphines: a theoretical interpretation

Autor:	Saul Wolfe, M. H. Whangbo, Milburn W. Taylor, Alan H. Cowley
Rok vydání:	1976
Předmět:	Trigonal planar molecular geometry Condensed Matter::Materials Science Crystallography chemistry Computational chemistry Tetrahedron Ab initio Molecular Medicine chemistry.chemical_element Molecular orbital Physics::Chemical Physics Dihedral angle Nitrogen
Zdroj:	J. Chem. Soc., Chem. Commun.. :838-839
ISSN:	0022-4936
DOI:	10.1039/c39760000838
Popis:	A perturbational molecular orbital model and ab initio molecular orbital calculations indicate that the nitrogen geometry of H2NPH2 changes from trigonal planar to approximately tetrahedral when the dihedral angle is increased from 90 to 180°, thus implying that the topomerisation of aminophosphines is a hybrid process which comprises both N–P bond rotation and pyramidal inversion at nitrogen.
Databáze:	OpenAIRE
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