Linked Life Data

11261660

Source:http://linkedlifedata.com/resource/pubmed/id/11261660

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
3
pubmed:dateCreated
2001-3-22
pubmed:abstractText
A computational study of the exchange coupling is presented for a selected sample of carboxylato-bridged dinuclear copper(II) compounds. Model calculations have been used to examine the influence of several factors on the coupling constants: a) the electron-withdrawing power of the bridging ligands; b) the nature of the axial ligands; c) the number of bridging carboxylato groups; d) some structural distortions frequently found in this family of compounds; and e) the coordination mode of the carboxylato bridge. Coupling constants calculated for some complete structures, as determined by X-ray diffraction, are in excellent agreement with experimental data, confirming the ability of the computational strategy used in this work to predict the coupling constant for compounds for which experimental data are not yet available.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Feb
pubmed:issn
0947-6539
pubmed:author
pubmed:issnType
Print
pubmed:day
2
pubmed:volume
7
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
627-37
pubmed:dateRevised
2009-8-4
pubmed:year
2001
pubmed:articleTitle
Exchange coupling in carboxylato-bridged dinuclear copper(II) compounds: a density functional study.
pubmed:affiliation
Departament de Química Física and Centre de Recerca en Química Teòrica, Universitat de Barcelona, Catalunya, Spain.
pubmed:publicationType
Journal Article