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Heterobimetallic complexes containing Ca-Fe or Yb-Fe bonds: synthesis and molecular and electronic structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb).

Abstract:

Reaction of calcium or ytterbium amalgam with [CpFe(CO)(2)](2) (Fp(2)) gave the isostructural heavy alkaline earth or divalent rare earth compounds [MFp(2)(THF)(3)](2) (M = Ca or Yb) containing two direct Ca-Fe (3.0185(6) Å) or Yb-Fe (2.9892(4) Å) bonds. Density functional theory supports experiment in finding shorter Yb-Fe than Ca-Fe distances, and Ziegler-Rauk, molecular orbital, and atoms-in-molecules analyses find the M-Fe bonding to be predominantly electrostatic in nature. The Yb-Fe int...

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Publication status:
Published

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Publisher copy:
10.1021/ja207487j

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
Journal:
Journal of the American Chemical Society More from this journal
Volume:
133
Issue:
39
Pages:
15358-15361
Publication date:
2011-10-01
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
Language:
English
Pubs id:
pubs:175165
UUID:
uuid:ad7973c4-f96f-4270-b6d2-e2554b0174d6
Local pid:
pubs:175165
Source identifiers:
175165
Deposit date:
2012-12-19

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