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Article: Vibrational spectra and assignments of 1-bromo-2-iodoethane

TitleVibrational spectra and assignments of 1-bromo-2-iodoethane
Authors
Keywords1-bromo-2-iodoethane
Raman spectra
Vibrational spectra
Issue Date1998
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/vibspec
Citation
Vibrational Spectroscopy, 1998, v. 17 n. 1-3, p. 73-81 How to Cite?
AbstractInfrared absorption and Raman spectra of liquid 1-bromo-2-iodoethane and 1-bromo-2-iodoethane in different solvents were taken. Additional infrared absorption and Raman spectra were obtained for solid 1-bromo-2-iodoethane. Ab initio vibrational frequencies of the anti and gauche conformers have been calculated at the RHF/3-21G* level of theory by using the point group symmetries of C 1 and C S, respectively. Vibrational frequency assignments for seventeen infrared and Raman active modes have been determined for both anti and gauche conformers. The experimental data and the ab initio calculations indicate that the anti conformer is more stable than the gauche conformer. The Raman intensities of the C-I stretch bands as a function of temperature were used to obtain the change of enthalpy between the anti and gauche conformers. The experimentally determined enthalpy difference between the anti and gauche conformers was found to be ΔH = 4.81 ± 0.21 kJ/mol for neat liquid 1-bromo-2-iodoethane. © 1998 Elsevier Science B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/70028
ISSN
2015 Impact Factor: 1.682
2015 SCImago Journal Rankings: 0.615
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorZheng, Xen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:19:02Z-
dc.date.available2010-09-06T06:19:02Z-
dc.date.issued1998en_HK
dc.identifier.citationVibrational Spectroscopy, 1998, v. 17 n. 1-3, p. 73-81en_HK
dc.identifier.issn0924-2031en_HK
dc.identifier.urihttp://hdl.handle.net/10722/70028-
dc.description.abstractInfrared absorption and Raman spectra of liquid 1-bromo-2-iodoethane and 1-bromo-2-iodoethane in different solvents were taken. Additional infrared absorption and Raman spectra were obtained for solid 1-bromo-2-iodoethane. Ab initio vibrational frequencies of the anti and gauche conformers have been calculated at the RHF/3-21G* level of theory by using the point group symmetries of C 1 and C S, respectively. Vibrational frequency assignments for seventeen infrared and Raman active modes have been determined for both anti and gauche conformers. The experimental data and the ab initio calculations indicate that the anti conformer is more stable than the gauche conformer. The Raman intensities of the C-I stretch bands as a function of temperature were used to obtain the change of enthalpy between the anti and gauche conformers. The experimentally determined enthalpy difference between the anti and gauche conformers was found to be ΔH = 4.81 ± 0.21 kJ/mol for neat liquid 1-bromo-2-iodoethane. © 1998 Elsevier Science B.V. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/vibspecen_HK
dc.relation.ispartofVibrational Spectroscopyen_HK
dc.rightsVibrational Spectroscopy. Copyright © Elsevier BV.en_HK
dc.subject1-bromo-2-iodoethaneen_HK
dc.subjectRaman spectraen_HK
dc.subjectVibrational spectraen_HK
dc.titleVibrational spectra and assignments of 1-bromo-2-iodoethaneen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0924-2031&volume=17&spage=73&epage=81&date=1998&atitle=Vibrational+spectra+and+assignments+of+1-bromo-2-iodoethaneen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0924-2031(98)00018-6-
dc.identifier.scopuseid_2-s2.0-0003056233en_HK
dc.identifier.hkuros40157en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0003056233&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume17en_HK
dc.identifier.issue1-3en_HK
dc.identifier.spage73en_HK
dc.identifier.epage81en_HK
dc.identifier.isiWOS:000076324700005-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridZheng, X=7404090253en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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