Приказ основних података о документу
The conformational equilibrium of 1,3-dichloro-5-methylcyclohexane
dc.creator | Došen-Mićović, Ljiljana | |
dc.creator | Jeremić, Dragoslav | |
dc.creator | Allinger, Norman L. | |
dc.date.accessioned | 2021-04-07T07:38:33Z | |
dc.date.available | 2021-04-07T07:38:33Z | |
dc.date.issued | 1981 | |
dc.identifier.issn | 0040-4020 | |
dc.identifier.issn | 1464-5416 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/4423 | |
dc.description.abstract | Two of the stereoisomers of the title compound were prepared and their dipole moments were measured. For the r-1,c-3-dichloro-t-5-methylcyclohexane, the free energy difference between conformers with axial-axial (aa) and equatorial-equatorial (ee) chlorines was measured by a variable temperature NMR method, and the value found was 1.3 ± 0.2 Kcal/mol-1 (in acetone) favoring the latter. Molecular mechanics studies show that the solvation energy and the electrostatics are of major importance in understanding this equilibrium. Calculations show the effect of the methyl group is essentially additive, and give for cis-1,3-dichlorocyclohexane itself ee{measured angle}aa DH+ 3.0 kcal mol-1 (acetone). | sr |
dc.language.iso | en | sr |
dc.publisher | Elsevier | sr |
dc.relation | The Research Fund of the Republic of Serbia | sr |
dc.rights | restrictedAccess | sr |
dc.source | Tetrahedron | sr |
dc.subject | stereoisomers | sr |
dc.subject | chlorines | sr |
dc.subject | electrostatics | sr |
dc.subject | molecular mechanics (MM) | sr |
dc.subject | methyl | sr |
dc.subject | conformations | sr |
dc.subject | free energy | sr |
dc.subject | cyclohexane | sr |
dc.title | The conformational equilibrium of 1,3-dichloro-5-methylcyclohexane | sr |
dc.type | article | sr |
dc.rights.license | ARR | sr |
dcterms.abstract | Јеремић, Драгослав; Aллингер, Норман Л.; Дошен-Мићовић, Љиљана; | |
dc.citation.volume | 37 | |
dc.citation.issue | 20 | |
dc.citation.spage | 3455 | |
dc.citation.epage | 3461 | |
dc.identifier.doi | 10.1016/S0040-4020(01)98859-3 | |
dc.identifier.scopus | 2-s2.0-49149133610 | |
dc.type.version | publishedVersion | sr |