Linked Life Data

15951230

Source:http://linkedlifedata.com/resource/pubmed/id/15951230

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
4-5
pubmed:dateCreated
2005-11-23
pubmed:abstractText
Fourier transform infrared (FT-IR) spectra of phthalimide and N-bromophthalimide have been recorded in the range of 4000-400 cm-1. With the hope of providing more and effective information on the fundamental vibrations, a normal coordinate analysis has been performed on phthalimide and N-bromophthalimide, by assuming C2v symmetry. Density functional theory (DFT)-Beck3-Lee-Yang-Parr (B3LYP) levels with 6-31G* and 6-311+G** basis sets have been employed in quantum chemical analysis. The computational frequencies are in good agreement with the observed results. The theoretical spectra obtained along with intensity data agree well with the observed spectra.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Dec
pubmed:issn
1386-1425
pubmed:author
pubmed:issnType
Print
pubmed:volume
62
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
918-25
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
Density functional theory study of the FT-IR spectra of phthalimide and N-bromophthalimide.
pubmed:affiliation
Department of Physics, Periyar University, Salem 636011, India. vkrishna_kumar@yahoo.com
pubmed:publicationType
Journal Article