Microwave spectrum, structure, and dipole moment of 2-fluorophenylacetylene
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ka, Soohyun | - |
dc.contributor.author | Jang, Heesu | - |
dc.contributor.author | Peebles, Sean A. | - |
dc.contributor.author | Peebles, Rebecca A. | - |
dc.contributor.author | Oh, Jung Jin | - |
dc.date.accessioned | 2023-11-08T05:47:51Z | - |
dc.date.available | 2023-11-08T05:47:51Z | - |
dc.date.issued | 2023-07 | - |
dc.identifier.issn | 0022-2860 | - |
dc.identifier.issn | 1872-8014 | - |
dc.identifier.uri | https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/151695 | - |
dc.description.abstract | The rotational spectra of the parent and eight 13C isotopomers of 2-fluorophenylacetylene were measured using chirped-pulsed Fourier-transform microwave spectroscopy in the frequency range 6–18 GHz. The rotational constants for the parent isotopomer were determined to be A0 = 2949.41825(17) MHz, B0 = 1495.78081(13) MHz, and C0 = 992.23008(9) MHz. The total dipole moment was determined to be 1.720(2) Debye from Stark measurements. The molecular geometry parameters were obtained experimentally using Kraitchman substitution and semi-experimental equilibrium structure. These structural parameters and dipole moments were compared with the data calculated at the B3LYP/6-311+G(2d,p) level and analyzed using the natural bond orbital method. © 2023 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | Elsevier B.V. | - |
dc.title | Microwave spectrum, structure, and dipole moment of 2-fluorophenylacetylene | - |
dc.type | Article | - |
dc.publisher.location | 네델란드 | - |
dc.identifier.doi | 10.1016/j.molstruc.2023.135377 | - |
dc.identifier.scopusid | 2-s2.0-85151284706 | - |
dc.identifier.wosid | 000974928300001 | - |
dc.identifier.bibliographicCitation | Journal of Molecular Structure, v.1284 | - |
dc.citation.title | Journal of Molecular Structure | - |
dc.citation.volume | 1284 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.subject.keywordPlus | EQUILIBRIUM STRUCTURE | - |
dc.subject.keywordPlus | ELECTRON-DIFFRACTION | - |
dc.subject.keywordPlus | ROTATIONAL SPECTRUM | - |
dc.subject.keywordPlus | MOLECULAR-STRUCTURE | - |
dc.subject.keywordPlus | FLUOROBENZENE | - |
dc.subject.keywordPlus | SPECTROSCOPY | - |
dc.subject.keywordPlus | CONSTANTS | - |
dc.subject.keywordAuthor | 2-fluorophenylacetylene | - |
dc.subject.keywordAuthor | Dipole moment | - |
dc.subject.keywordAuthor | Isotopic substitution | - |
dc.subject.keywordAuthor | Rotational spectroscopy | - |
dc.subject.keywordAuthor | Stark effect | - |
dc.subject.keywordAuthor | Structure determination | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S002228602300474X?via%3Dihub | - |
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