Linked Life Data

15803443

Source:http://linkedlifedata.com/resource/pubmed/id/15803443

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
12
pubmed:dateCreated
2005-6-13
pubmed:abstractText
The solid-state IR spectrum of Me(3)PAuSCN shows two signals in the range of the C-N stretching vibrations at 2075 and 2113 cm(-1). On the basis of thoroughly tested quantum chemical ab initio calculations (MP2 level of theory) these signals have been assigned to the two isomeric forms Me(3)PAuNCS and Me(3)PAuSCN. The molecular structures, the vibrational frequencies, and the relative energies of the two species have been calculated and the results compared with the experimental IR data. Treatment of Me(3)PAuSCN with equimolar quantities of [(Me(3)P)Au](+)[SbF(6)](-) in CH(2)Cl(2) at -78 degrees C gives the dinuclear reaction product [C(7)H(9)Au(2)NP(2)S](+)[SbF(6)](-) in high yields. A comparison of results of ab initio calculations and IR data suggest that at least three isomeric cationic species [(R(3)PAu)(2)NCS](+), [(R(3)PAu)(2)SCN](+) and [(R(3)PAu)SCN(AuPR(3))](+) are present, the second and third being the predominant components. The structures and vibrational frequencies of all three species have been calculated. The relative energies in the gas phase and in solution are discussed and compared with the corresponding data of the experimental IR spectra.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jun
pubmed:issn
0947-6539
pubmed:author
pubmed:issnType
Print
pubmed:day
6
pubmed:volume
11
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3574-82
pubmed:dateRevised
2009-8-4
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
Isomeric mono- and bis[(phosphane)gold(I)] thiocyanate complexes.
pubmed:affiliation
Department of Chemistry, University of Helsinki, Finland.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't