Linked Life Data

11908504

Source:http://linkedlifedata.com/resource/pubmed/id/11908504

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
3
pubmed:dateCreated
2002-3-22
pubmed:abstractText
The complex potential energy surface of the gas-phase reaction of HB(H)BH- with CS2 to give three low-lying products [B2H3S]- + CS, [BH2CS]- + HBS, and [BH3CS] + BS-, involving nine [B2H3CS2]- isomers and 12 transition states, has been investigated at the CCSD(T)/6-311++G(d,p)/B3LYP/6-311++G(d,p) level. Our calculations are in harmony with the recent experimental and theoretical results, and reveal some new bonding and kinetic features of this reaction system. Our theoretical results may help the further identification of the products [BH2CS]- + HBS and [BH3CS] + BS- and may provide useful information on the chemical behaviors of other electron-deficient boron hydride anions.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Feb
pubmed:issn
0192-8651
pubmed:author
pubmed:issnType
Print
pubmed:volume
23
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
414-9
pubmed:dateRevised
2003-11-3
pubmed:year
2002
pubmed:articleTitle
Theoretical study on the mechanism of the gas-phase reaction of diborane(3) anion with carbon disulfide.
pubmed:affiliation
Center for Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing, People's Republic of China. qzwzhh@hotmail.com
pubmed:publicationType
Journal Article