Linked Life Data

20714490

Source:http://linkedlifedata.com/resource/pubmed/id/20714490

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
37
pubmed:dateCreated
2010-9-10
pubmed:abstractText
Coordination structures of the Co(+)(NH(3))(n) and Ni(+)(NH(3))(n) ions are probed by infrared (IR) photodissociation spectroscopy with the aid of density functional theory (DFT) calculations. The IR spectra of N(2)-tagged Co(+)(NH(3))(n) (n = 1-4) exhibit two distinct bands assignable to the symmetric and antisymmetric NH stretches of the NH(3) molecules binding directly to Co(+). Size-dependent changes in the spectra of Co(+)(NH(3))(n) (n = 4-8) indicate that the first shell of Co(+) is filled with four NH(3) molecules and the resulting 4-coordinated structure forms the central core of further solvation. The spectra of Ni(+)(NH(3))(n) (n = 3-8) suggest that the coordination number of Ni(+) is also four, although a minor 3-coordinated isomer is identified for Ni(+)(NH(3))(4). Despite the same coordination number, the DFT calculations predict a distorted square-planar coordination for Ni(+)(NH(3))(4) and a distorted tetrahedral coordination for Co(+)(NH(3))(4). The coordination of Ni(+)(NH(3))(4) is explainable by using a simple model based on the geometry of a half-filled 3d orbital in Ni(+). This suggests that the Ni(+) ion gives priority to the minimization of the metal-ligand repulsion in accommodating four ligands in the first shell. On the other hand, the same model fails to explain the coordination of Co(+)(NH(3))(4). An interpretation for this is that the Co(+) ion gives priority to the minimization of the ligand-ligand repulsion.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Oct
pubmed:issn
1463-9084
pubmed:author
pubmed:issnType
Electronic
pubmed:day
7
pubmed:volume
12
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
11647-56
pubmed:meshHeading
pubmed:year
2010
pubmed:articleTitle
Infrared photodissociation spectroscopy of Co(+)(NH(3))(n) and Ni(+)(NH(3))(n): preference for tetrahedral or square-planar coordination.
pubmed:affiliation
Department of Chemistry, Graduate School of Sciences, Kyushu University, Hakozaki, Fukuoka, 812-8581, Japan.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't