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Charge iterative relativistic extended Hückel theory and its application to the digermene, distannene and diplumbene systems

✍ Scribed by J.T. Gleghorn; N.D.A. Hammond

Book ID
103027958
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
277 KB
Volume
105
Category
Article
ISSN
0009-2614

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✦ Synopsis

The REX programme of Lohr and Pyykko has been moditied to include charge-dependent terms in the hmiltoti matrix. The iterative schemes discussed are applied to the tmns folded MZH4 systems (M = Ge, Sn. Pb). The me of fold increases from 35" in the digermene system to 65" in diplumbene; increasing folding is mirromd in ;~n increzs~ smbility of the hQH4 species. Extended Hiickel (non-relativistic) calculations predict much smzdler fold angles. The stabilities of the HMMH3 spenes are mmpared with those of the hlzH4 systems.

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