Crown compounds for anions. MNDO calculations of complexes of halide anions with cyclic pentameric difluoromethylidenemercury
Chistyakov, A. L. ; Stankevich, I. V. ; Gambaryan, N. P. ; Tikhonova, I. A. ; Shur, V. B.
Springer
Published 1996
Springer
Published 1996
| ISSN: |
1573-9171
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|---|---|
| Keywords: |
polymercury-containing macrocycles ; halide anions ; complexes ; MNDO method ; generalized chemical bonds
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| Source: |
Springer Online Journal Archives 1860-2000
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| Topics: |
Chemistry and Pharmacology
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| Notes: |
Abstract Molecular and electronic structures of complexes of halide anions with cyclic pentameric difluoromethylidenemercury [CF2Hg]5 have been studied by the MNDO method. Calculations have been performed for [L-X]− halfsandwich complexes and bipyramidal complexes [X-L-X]2− having a shape of a spinning top (L is the mercury-containing macrocycle; X = F, Cl, Br, or 1). It has been shown that in complexes of both types, halide anions are bonded to the mercury-containing macrocycle via three generalized chemical bonds: one headlightshaped σ-bond and two two-lobe n-bonds. The complexes studied have been compared with the analogous complexes of the macrocycles containing three mercury atoms. The similarity and differences in the character of the generalized chemical bonds in relation to the size of the cycle have been considered.
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| Type of Medium: |
Electronic Resource
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| URL: |