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CrCpTp: a high-spin Cr(II) sandwich complex with a large structural distortion.

Abstract:
CrCpTp was synthesized from the reaction of [CrCpCl](2) and KTp. Magnetic measurements indicate it to have a high-spin (S = 2) electronic configuration from 5 to 300 K. A single-crystal X-ray study reveals bond lengths typical for a high-spin configuration and a pronounced Jahn-Teller distortion. The nature of this distortion was probed by DFT calculations and the variation in bond lengths successfully reproduced. The metal-based HOMO is significantly antibonding with respect to a single pyrazolyl ring only.
Publication status:
Published

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Publisher copy:
10.1021/ic0255151

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
Journal:
Inorganic chemistry More from this journal
Volume:
41
Issue:
7
Pages:
1701-1703
Publication date:
2002-04-01
DOI:
EISSN:
1520-510X
ISSN:
0020-1669
Language:
English
Pubs id:
pubs:94364
UUID:
uuid:fb180f5f-45a6-47d8-82e0-4bc1f764d68b
Local pid:
pubs:94364
Source identifiers:
94364
Deposit date:
2013-11-16

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