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Theoretical understanding of two-photon-induced fluorescence of isomorphic nucleoside analogs

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dc.contributor.author Samanta, Pralok K.
dc.contributor.author Pati, Swapan Kumar
dc.date.accessioned 2017-01-04T09:41:38Z
dc.date.available 2017-01-04T09:41:38Z
dc.date.issued 2015
dc.identifier.citation Physical Chemistry Chemical Physics en_US
dc.identifier.citation 17 en_US
dc.identifier.citation 15 en_US
dc.identifier.citation Samanta, P. K.; Pati, S. K., Theoretical understanding of two-photon-induced fluorescence of isomorphic nucleoside analogs. Physical Chemistry Chemical Physics 2015, 17 (15), 10053-10058. en_US
dc.identifier.issn 1463-9076
dc.identifier.uri https://libjncir.jncasr.ac.in/xmlui/10572/2058
dc.description Restricted access en_US
dc.description.abstract We use ab initio Density Functional Theory (DFT) and Time-dependent DFT (TDDFT) calculations for a detailed understanding of one-photon absorption (1PA) and two-photon absorption (2PA) cross sections of eight different nucleoside analogs. The results are compared and contrasted with the available experimental data. Our calculated results show that the low energy peaks in the absorption spectra mainly arise because of the pi-pi* electronic transition of the nucleoside analogs. The emission spectra of the nucleoside analogs are also calculated using TDDFT methods. The calculated absorption and emission spectra in the presence of a solvent follow the same trend as those found experimentally. Our results demonstrate that the nucleoside analogs show significantly different electronic and optical properties, although their bonding aspects towards Watson-Crick base pairing remain the same. We also derive the microscopic details of the origin of nonlinear optical properties of the nucleoside analogs. en_US
dc.description.uri 1463-9084 en_US
dc.description.uri http://dx.doi.org/10.1039/c5cp00134j en_US
dc.language.iso English en_US
dc.publisher Royal Society of Chemistry en_US
dc.rights ?Royal Society of Chemistry, 2015 en_US
dc.subject Physical Chemistry en_US
dc.subject Atomic, Molecular & Chemical Physics en_US
dc.subject Absorption Cross-Sections en_US
dc.subject Stimulated-Emission en_US
dc.subject Base-Pairs en_US
dc.subject RNA Nucleosides en_US
dc.subject DNA en_US
dc.subject Microscopy en_US
dc.subject Density en_US
dc.subject State en_US
dc.subject Chromophores en_US
dc.subject Nucleobases en_US
dc.title Theoretical understanding of two-photon-induced fluorescence of isomorphic nucleoside analogs en_US
dc.type Article en_US


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