Microwave spectrum of 2,6-dimethylcyclohexanone SCIE SCOPUS
DC Field | Value | Language |
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dc.contributor.author | Jang, Heesu | - |
dc.contributor.author | Shim, Jae-Seol | - |
dc.contributor.author | Oh, Jung Jin | - |
dc.date.accessioned | 2020-04-16T10:25:17Z | - |
dc.date.available | 2020-04-16T10:25:17Z | - |
dc.date.created | 2020-01-28 | - |
dc.date.issued | 2017-07 | - |
dc.identifier.issn | 0022-2852 | - |
dc.identifier.uri | https://sciwatch.kiost.ac.kr/handle/2020.kiost/1207 | - |
dc.description.abstract | The rotational spectrum of 2,6-dimethylcyclohexanone (DMCHO) was measured in the frequency region from 6 to 12 GHz. Among three possible conformational isomers, two conformers were identified where two methyl groups are aligned in the equatorial/equatorial (ee) and the equatorial/axial (ea) positions. Both b-type and c-type transitions for (e,e)-2,6-DMCHO, and a-type, b-type, and c-type transitions for (e,a)-2,6-DMCHO were assigned to determine the rotational constants and quartic centrifugal distortion constants based on the Watson-A reduction Hamiltonian: (ee) A = 2150.95789(48) MHz, B = 1578.76212 (40) MHz, C = 990.19141(45) MHz, Delta(j) = 0.086(11) kHz, Delta(JK) = -0.134(20) kHz, Delta(K) = 0.298(15) kHz, delta(J) = 23.4(24) Hz, and delta(K) = 101.4(77) Hz; and (ea) A = 2082.62538(83) MHz, B = 1566.59564(59) MHz, C = 1113.90153(75) MHz, 41 = 0.066(23) kHz. In addition, dipole moment components of the two isomers were determined by Stark effect measurements: (ee) mu(b) = 2.6673(12) D, mu(c)= 1.0379(11) D, mu(total) = 2.8621 (12) D; and (ea) mu(a) = 1.385(253) D, mu(b) = 2.358(104) 0, mu(c) = 1.172(21) D, mu(total) = 2.975(144) D. Ab initio calculations for all three isomers were compared with each other and with experimental results. (C) 2017 Elsevier Inc. All rights reserved. | - |
dc.description.uri | 1 | - |
dc.language | English | - |
dc.publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE | - |
dc.subject | DIPOLE-MOMENT | - |
dc.subject | CONFORMATION | - |
dc.subject | STEREOCHEMISTRY | - |
dc.subject | CYCLOHEXANONES | - |
dc.subject | REDUCTION | - |
dc.subject | ARGON | - |
dc.title | Microwave spectrum of 2,6-dimethylcyclohexanone | - |
dc.type | Article | - |
dc.citation.endPage | 71 | - |
dc.citation.startPage | 65 | - |
dc.citation.title | JOURNAL OF MOLECULAR SPECTROSCOPY | - |
dc.citation.volume | 337 | - |
dc.contributor.alternativeName | 심재설 | - |
dc.identifier.bibliographicCitation | JOURNAL OF MOLECULAR SPECTROSCOPY, v.337, pp.65 - 71 | - |
dc.identifier.doi | 10.1016/j.jms.2017.04.021 | - |
dc.identifier.scopusid | 2-s2.0-85019095316 | - |
dc.identifier.wosid | 000405760800011 | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.subject.keywordPlus | DIPOLE-MOMENT | - |
dc.subject.keywordPlus | CONFORMATION | - |
dc.subject.keywordPlus | STEREOCHEMISTRY | - |
dc.subject.keywordPlus | CYCLOHEXANONES | - |
dc.subject.keywordPlus | REDUCTION | - |
dc.subject.keywordPlus | ARGON | - |
dc.subject.keywordAuthor | 2,6-Dimethylcyclohexanone | - |
dc.subject.keywordAuthor | Conformational analysis | - |
dc.subject.keywordAuthor | Rotational spectrum | - |
dc.subject.keywordAuthor | Dipole moments | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalWebOfScienceCategory | Spectroscopy | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalResearchArea | Spectroscopy | - |