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Journal article

A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.

Abstract:

Density functional theory has been used to investigate the structures, bonding and properties of a family of hydride rich late transition metal clusters of the type [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4), [Rh(6)(PH(3))(6)H(16)](x) (x = +1 or +2) and [Rh(6)(PH(3))(6)H(14)](x) (x = 0, +1 or +2). The positions of the hydrogen atoms around the pseudo-octahedral Rh(6) core in the optimized structures of [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4) varied depending on the overal...

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Publication status:
Published

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Publisher copy:
10.1039/b701683b

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:
Dalton transactions (Cambridge, England : 2003) More from this journal
Issue:
18
Pages:
1781-1792
Publication date:
2007-05-01
DOI:
EISSN:
1477-9234
ISSN:
1477-9226
Language:
English
Pubs id:
pubs:40325
UUID:
uuid:aa5ea61b-2baf-409f-a79f-956f40e538e2
Local pid:
pubs:40325
Source identifiers:
40325
Deposit date:
2012-12-19

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