Effect of Hydrogen Bonds on the Vibrational Relaxation and Orientational Relaxation Dynamics of HN3 and N-3(-) in Solutions
DC Field | Value | Language |
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dc.contributor.author | Lee, Chiho | - |
dc.contributor.author | Son, Hyewon | - |
dc.contributor.author | Park, Sungnam | - |
dc.date.accessioned | 2021-09-03T20:00:00Z | - |
dc.date.available | 2021-09-03T20:00:00Z | - |
dc.date.created | 2021-06-16 | - |
dc.date.issued | 2016-09-15 | - |
dc.identifier.issn | 1520-6106 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/87506 | - |
dc.description.abstract | Hydrogen bonds (H-bonds) play an important role in determining the structures and dynamics of molecular systems. In this work, we investigated the effect of H-bonds on the vibrational population relaxation and orientational relaxation dynamics of HN3 and N-3(-) in methanol (CH3OH) and N,N-dimethyl sulfoxide (DMSO) using polarization controlled infrared pump-probe spectroscopy and quantum chemical calculations. Our detailed analysis of experimental and computational results reveals that both vibrational population relaxation and orientational relaxation dynamics of HN3 and N-3(-) in CH3OH and DMSO are substantially dependent on the strength of the H-bonds between the probing solute and its surrounding solvent. Especially in the case of N-3(-) in CH3OH, the vibrational population relaxation of N-3(-) is found to occur by a direct intermolecular vibrational energy transfer to CH3OH due to large vibrational coupling strength. The orientational relaxation dynamics of HN3 and N-3(-), which are well fit by a biexponential function, are analyzed by the wobbling-in-a-cone model and extended Debye-Stokes-Einstein equation. Depending on the intermolecular interactions, the slow overall orientational relaxation occurs under slip, stick, and superstick boundary conditions. For HN3 and N-3(-) in CH3OH and DMSO, the vibrational population relaxation becomes faster but the orientational relaxation becomes slower as the H-bond strength is increased. Our current results imply that, H-bonds have significant effects on the vibrational population relaxation and orientational relaxation dynamics of a small solute whose size is comparable to the size of the solvent. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | 2-DIMENSIONAL INFRARED-SPECTROSCOPY | - |
dc.subject | LIQUID WATER | - |
dc.subject | ENERGY TRANSFERS | - |
dc.subject | AZIDE ION | - |
dc.subject | METHANOL | - |
dc.subject | EQUILIBRIUM | - |
dc.subject | FREQUENCIES | - |
dc.subject | MEMBRANES | - |
dc.subject | FRICTION | - |
dc.subject | SOLVENTS | - |
dc.title | Effect of Hydrogen Bonds on the Vibrational Relaxation and Orientational Relaxation Dynamics of HN3 and N-3(-) in Solutions | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Park, Sungnam | - |
dc.identifier.doi | 10.1021/acs.jpcb.6b06239 | - |
dc.identifier.scopusid | 2-s2.0-84987792287 | - |
dc.identifier.wosid | 000383641300018 | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY B, v.120, no.36, pp.9723 - 9731 | - |
dc.relation.isPartOf | JOURNAL OF PHYSICAL CHEMISTRY B | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY B | - |
dc.citation.volume | 120 | - |
dc.citation.number | 36 | - |
dc.citation.startPage | 9723 | - |
dc.citation.endPage | 9731 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.subject.keywordPlus | 2-DIMENSIONAL INFRARED-SPECTROSCOPY | - |
dc.subject.keywordPlus | LIQUID WATER | - |
dc.subject.keywordPlus | ENERGY TRANSFERS | - |
dc.subject.keywordPlus | AZIDE ION | - |
dc.subject.keywordPlus | METHANOL | - |
dc.subject.keywordPlus | EQUILIBRIUM | - |
dc.subject.keywordPlus | FREQUENCIES | - |
dc.subject.keywordPlus | MEMBRANES | - |
dc.subject.keywordPlus | FRICTION | - |
dc.subject.keywordPlus | SOLVENTS | - |
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