Linked Life Data

19298067

Source:http://linkedlifedata.com/resource/pubmed/id/19298067

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
17
pubmed:dateCreated
2009-4-23
pubmed:abstractText
The molecular structure of trimethylgermane has been determined by gas electron diffraction experiments. Infrared spectra for the gaseous, liquid, and solid phases were also recorded. Parallel and perpendicular polarized Raman spectra for the liquid were measured to obtain depolarization values. The experimental studies were supported by a series of computational calculations using HF, B3LYP, and MP2 methods and a variety of basis sets. The force fields obtained from density functional theory using both B3LYP/6-31G* and B3LYP/6-311+G** were scaled with both Pulay's SQM methodology and Yoshida's WLS procedure to simulate the vibrational spectra and assist in the assignment of fundamental bands. The Raman intensities were obtained from polarizability derivatives. The vibrational spectra of trimethylgermane were completely assigned on the basis of the experimental data and the theoretical prediction of vibrational frequencies and intensities.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Apr
pubmed:issn
1520-5215
pubmed:author
pubmed:issnType
Electronic
pubmed:day
30
pubmed:volume
113
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
5195-204
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
Combined experimental studies and theoretical calculations to yield the complete molecular structure and vibrational spectra of (CH3)3GeH.
pubmed:affiliation
INQUINOA, CONICET, Instituto de Quimica Fisica, Facultad de Bioquimica, Quimica y Farmacia, Universidad Nacional de Tucuman, San Lorenzo 456, T4000CAN Tucuman, R. Argentina.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't