Linked Life Data

12659886

Source:http://linkedlifedata.com/resource/pubmed/id/12659886

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
6
pubmed:dateCreated
2003-3-27
pubmed:abstractText
The conformational equilibrium of 2-methoxycyclohexanone has been analyzed through infrared spectroscopy and theoretical calculations. These calculations indicate that six conformations may be present in the vapor phase, due to the rotation of the methoxy group around the O-C(2) bond, leading to axial (g(+), g(-) and anti) and equatorial (g(+), g(-) and anti) conformers. However, the infrared spectrum in CCl(4) solution shows just three carbonyl stretching bands, corresponding to the conformers of lower energies. An additional band is observed for the CH(3)CN solution, attributed to a fourth conformer stabilized by a dipole-dipole interaction between this conformer, having a high dipole moment, and the very polar solvent. An interpretation of the governing factors of 2-methoxycyclohexanone equilibria is also given.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Apr
pubmed:issn
1386-1425
pubmed:author
pubmed:issnType
Print
pubmed:volume
59
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1177-82
pubmed:dateRevised
2006-11-15
pubmed:meshHeading
pubmed:year
2003
pubmed:articleTitle
Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone.
pubmed:affiliation
Physical Organic Chemistry Laboratory, Instituto de Qui;mica, UNICAMP, Caixa Postal 6154, 13084-971, SP, Campinas, Brazil.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't