Please use this identifier to cite or link to this item: http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/5448
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dc.contributor.authorMONDAL, SAYANen_US
dc.contributor.authorPURANIK, MRINALINIen_US
dc.date.accessioned2020-12-16T11:01:20Z-
dc.date.available2020-12-16T11:01:20Z-
dc.date.issued2017-08en_US
dc.identifier.citationPhysical Chemistry Chemical Physics, 19(30), 20224-20240.en_US
dc.identifier.issn1463-9084en_US
dc.identifier.issn1463-9076en_US
dc.identifier.urihttp://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/5448-
dc.identifier.urihttps://doi.org/10.1039/C7CP03092Den_US
dc.description.abstractWe report deep UV initiated excited state dynamics of the canonical nucleobase adenine (Ade) through Resonance Raman (RR) intensity analysis. RR spectra of Ade at excitation wavelengths throughout the Bb absorption band in the 210–230 nm wavelength range are measured and subsequently converted to scattering cross-sections. The time-dependent wave packet (TDWP) formalism has been employed for self-consistent simulations of the resulting wavelength dependent Raman excitation profiles (REP) and absorption spectrum of Ade. These simulations yield instantaneous nuclear dynamics of Ade within tens of femtoseconds (fs) of photoabsorption as structural distortions, linewidth broadening and solvation parameters. The instantaneous geometrical distortions of the purine ring following photoexcitation into the Bb state are analyzed vis-à-vis the low energy La state (∼260 nm) of Ade. We find that while photoabsorption by the La state causes major distortions of the imidazole ring, pyrimidine ring suffers maximal changes following Bb excitation. Seven in-plane stretching vibrations out of fifteen resonantly enhanced modes of Ade are found to contribute 76% of the total internal reorganization energy (981 cm−1) in the Bb excited state. In addition, the inertial response of the solvation shell to photoexcitation is found to be of 1190 cm−1 in magnitude, and with a relaxation time of 26.5 fs. A parallel comparison is drawn between the UV-C initiated photodynamics of Ade (6-aminopurine) with that of two substituted purines, viz., 6-chloroguanine (6-ClG or 2-amino-6-chloropurine) and guanine (2-amino-6-oxo-purie) which were reported earlier.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.subjectChemistryen_US
dc.subject2017en_US
dc.titleUltrafast structural dynamics of photoexcited adenineen_US
dc.typeArticleen_US
dc.contributor.departmentDept. of Chemistryen_US
dc.identifier.sourcetitlePhysical Chemistry Chemical Physicsen_US
dc.publication.originofpublisherForeignen_US
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