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Correlation effects and the nature of the metalmetal bond in DI-chromium and DI-molybdenum complexes

✍ Scribed by Martyn F. Guest; Ian H. Hillier; C. David Garner

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
245 KB
Volume
48
Category
Article
ISSN
0009-2614

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✦ Synopsis

Rpcelved 18 March 1977 Cnlculetlons, both at the SCF level and including correlation effcctshavve been pcrformcd for CF$~, Xfozq [CCZ(CTC~)~~ 4; andCrz(OzCH)4 l 2H20. I or hloy the SCF ground state corresponds to the usual a2n46 * quadruple bond descnpnon. whdst for Cr$* and the dlchrommm(lI)

complexes, the ground state for the metal-metal interaction is the ~2620*26*2 no-bond confrguration. Correl&mn effects. which allow bonding conflguratrons of hghcr energy to mi\ into the ground state, are seen to provrde rl now1 intcrprctdion of the metal-metal interxtions in these compkxcs.

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## Abstract The metal–nitrogen bond in six‐coordinate complexes [ML^1^Cl]^+^ (M = Co, Ni, Cu or Zn) of (pyridyloxy)cyclophosphazene, five‐coordinate complexes [ML^1^Cl~2~] (M = Cu or Zn) of green‐[NiL^1^Cl~2~], and dimetallic complexes [L^2^(CuCl~2~)~2~], [L^3^(CuCl)~2~]^2+^ and [L^3^(CuCl~2~)~2~]