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Maximum Overlap. Hybridization in PF5 and SF4

King-Mo Sun ; Department of Chemistry, The Chinese University of Hong Kong, Shatin, N. T. Hong Kong
Thomas C. W. Mak ; Department of Chemistry, The Chinese University of Hong Kong, Shatin, N. T. Hong Kong
Wai-Kee Li ; Department of Chemistry, The Chinese University of Hong Kong, Shatin, N. T. Hong Kong

Sažetak

The method of Murrell as modified by Golebiewski has been
applied to determine the maximum overlap hybrid orbitals for PF5
and SF4• For the former system, three cases have been considered:
cr overlap integrals of the central atom valence and F 2p orbitals are
(i) taken as angular parts of P atomic orbitals projected in the bond
directions, (ii) evaluated using SCF atomic wave functions with
equidistant F ligands, and (iii) calculated using experimental bond
lengths. The resultant overall hybridizations are compared and
discussed. For SF4, only case (iii) has been carried out. In addition,
the wave function of the lone pair orbital is obtained with symmetry
consideration and orthonormality relationships among all the hy-
. brids. This appears to be an inexpensive way to determine the
form of the lone pair and to estimate its size.

Ključne riječi

Hrčak ID:

196118

URI

https://hrcak.srce.hr/196118

Datum izdavanja:

26.4.1978.

Posjeta: 751 *