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Article: Role of ribose in the initial excited state structural dynamics of thymidine in water solution: A resonance raman and density functional theory investigation

TitleRole of ribose in the initial excited state structural dynamics of thymidine in water solution: A resonance raman and density functional theory investigation
Authors
Issue Date2008
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journal/jpcbfk
Citation
Journal Of Physical Chemistry B, 2008, v. 112 n. 49, p. 15828-15836 How to Cite?
AbstractResonance Raman spectra were obtained for thymidine and thymine with excitation wavelengths in resonance with the ∑260 nm band absorption spectrum. The spectra indicate that the Franck-Condon (FC) region photodissociation dynamics of thymidine have multidimensional character with motion predominantly along the nominal C 5=C 6 stretch + C 6-H bend v 17 (δ = 0,75, γ = 468 cm -1 the nominal thymine ring stretch + C 6-H bend + N 1C 1 stretch v 29 (δ = 0.73, γ = 363 cm -1), the nominal thymine ring stretch + C 5-CH 3/ N 1-C 1 stretch v 537 (δ = 0.69, γ = 292 cm -1), and accompanied by the moderate and minor changes in the v 40, v 20 and v 23, v 55, v 60, v 61 v 63 modes. A preliminary resonance Raman intensity analysis was done, and these results for thymidine and thymine were compared to each other. The roles of ribose in the FC structure dynamics of thymidine were explored and the results were used to correlate to its lifetime constants T 1 and r 2 for two nonradiative decay channels. S π/S n conical intersection versus a distorted structure of S π,min in the FC region was briefly discussed. © 2008 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/58321
ISSN
2015 Impact Factor: 3.187
2015 SCImago Journal Rankings: 1.414
ISI Accession Number ID
Funding AgencyGrant Number
National Basic Research Program of China2007CB815203
NSFC20573097
20703038
NSFZR405465
EYTP, MOE of China1918
Research Grants Council (RGC) of Hong KongHKU 7039/07P
Croucher Foundation
University of Hong Kong
Funding Information:

This work was supported by grants from the National Basic Research Program of China (2007CB815203), NSFC (Nos. 20573097 and 20703038), NSFZ (No. R405465), and EYTP, MOE of China (No. 1918) to X.M. and from the Research Grants Council (RGC) of Hong Kong (HKU 7039/07P) to D.L.P. D.L.P. thanks the Croucher Foundation for the award of a Croucher Foundation Senior Research Fellowship (2006-07) and the University of Hong Kong for an Outstanding Researcher Award (2006).

References

 

DC FieldValueLanguage
dc.contributor.authorZhu, XMen_HK
dc.contributor.authorWang, HGen_HK
dc.contributor.authorZheng, Xen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-05-31T03:28:15Z-
dc.date.available2010-05-31T03:28:15Z-
dc.date.issued2008en_HK
dc.identifier.citationJournal Of Physical Chemistry B, 2008, v. 112 n. 49, p. 15828-15836en_HK
dc.identifier.issn1520-6106en_HK
dc.identifier.urihttp://hdl.handle.net/10722/58321-
dc.description.abstractResonance Raman spectra were obtained for thymidine and thymine with excitation wavelengths in resonance with the ∑260 nm band absorption spectrum. The spectra indicate that the Franck-Condon (FC) region photodissociation dynamics of thymidine have multidimensional character with motion predominantly along the nominal C 5=C 6 stretch + C 6-H bend v 17 (δ = 0,75, γ = 468 cm -1 the nominal thymine ring stretch + C 6-H bend + N 1C 1 stretch v 29 (δ = 0.73, γ = 363 cm -1), the nominal thymine ring stretch + C 5-CH 3/ N 1-C 1 stretch v 537 (δ = 0.69, γ = 292 cm -1), and accompanied by the moderate and minor changes in the v 40, v 20 and v 23, v 55, v 60, v 61 v 63 modes. A preliminary resonance Raman intensity analysis was done, and these results for thymidine and thymine were compared to each other. The roles of ribose in the FC structure dynamics of thymidine were explored and the results were used to correlate to its lifetime constants T 1 and r 2 for two nonradiative decay channels. S π/S n conical intersection versus a distorted structure of S π,min in the FC region was briefly discussed. © 2008 American Chemical Society.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journal/jpcbfken_HK
dc.relation.ispartofJournal of Physical Chemistry Ben_HK
dc.titleRole of ribose in the initial excited state structural dynamics of thymidine in water solution: A resonance raman and density functional theory investigationen_HK
dc.typeArticleen_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jp806248ben_HK
dc.identifier.pmid19368034-
dc.identifier.scopuseid_2-s2.0-58149152819en_HK
dc.identifier.hkuros157118en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-58149152819&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume112en_HK
dc.identifier.issue49en_HK
dc.identifier.spage15828en_HK
dc.identifier.epage15836en_HK
dc.identifier.isiWOS:000261426500037-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridZhu, XM=7406185563en_HK
dc.identifier.scopusauthoridWang, HG=7501744689en_HK
dc.identifier.scopusauthoridZheng, X=7404090253en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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