A three-state model for the photophysics of guanine

Journal of the American Chemical Society
Luis Serrano-AndrésAntonio C Borin

Abstract

The nonadiabatic photochemistry of the guanine molecule (2-amino-6-oxopurine) and some of its tautomers has been studied by means of the high-level theoretical ab initio quantum chemistry methods CASSCF and CASPT2. Accurate computations, based by the first time on minimum energy reaction paths, states minima, transition states, reaction barriers, and conical intersections on the potential energy hypersurfaces of the molecules lead to interpret the photochemistry of guanine and derivatives within a three-state model. As in the other purine DNA nucleobase, adenine, the ultrafast subpicosecond fluorescence decay measured in guanine is attributed to the barrierless character of the path leading from the initially populated 1(pi pi* L(a)) spectroscopic state of the molecule toward the low-lying methanamine-like conical intersection (gs/pi pi* L(a))CI. On the contrary, other tautomers are shown to have a reaction energy barrier along the main relaxation profile. A second, slower decay is attributed to a path involving switches toward two other states, 1(pi pi* L(b)) and, in particular, 1(n(O) pi*), ultimately leading to conical intersections with the ground state. A common framework for the ultrafast relaxation of the natural nucleob...Continue Reading

References

Jun 13, 2002·Journal of the American Chemical Society·Nina IsmailMichael A Robb
Jul 3, 2003·Journal of the American Chemical Society·Manuela Merchán, Luis Serrano-Andrés
Feb 26, 2004·Journal of the American Chemical Society·Susanne UllrichAlbert Stolow
Apr 15, 2004·Chemical Reviews·Carlos E Crespo-HernándezBern Kohler
Oct 9, 2004·Faraday Discussions·Boiko CohenBern Kohler
Feb 11, 2005·Journal of the American Chemical Society·Manuela MerchánLluís Blancafort
Mar 4, 2005·The Journal of Chemical Physics·Clélia CanuelMohamed Elhanine
Apr 20, 2005·The Journal of Chemical Physics·Luis Serrano-AndrésRoland Lindh
Apr 20, 2005·The Journal of Chemical Physics·Christel M Marian
Apr 28, 2005·Journal of the American Chemical Society·Serhiy PerunWolfgang Domcke
Aug 27, 2005·Nature·Carlos E Crespo-HernándezBern Kohler
Nov 5, 2005·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Steen Brøndsted NielsenSøren Vrønning Hoffmann
Dec 8, 2005·Journal of the American Chemical Society·Dimitra MarkovitsiElodie Lazzarotto
Dec 15, 2005·The Journal of Chemical Physics·David R Yarkony
Jan 5, 2006·Journal of the American Chemical Society·Lluís Blancafort
May 6, 2006·The Journal of Chemical Physics·Hui Chen, Shuhua Li
Jun 22, 2006·Chemistry : a European Journal·Luis Serrano-AndrésAntonio Carlos Borin
Jun 29, 2006·Proceedings of the National Academy of Sciences of the United States of America·Helmut SatzgerAlbert Stolow
Jul 13, 2006·The Journal of Physical Chemistry. a·Lluís BlancafortMichael A Robb
Jul 13, 2006·The Journal of Physical Chemistry. a·Katarina TomićChristel M Marian
Jul 21, 2006·The Journal of Physical Chemistry. B·Leonid GorbJerzy Leszczynski
Jul 27, 2006·The Journal of Physical Chemistry. a·Marek Z ZgierskiEdward C Lim
Aug 2, 2006·Physical Chemistry Chemical Physics : PCCP·Michael SchneiderIngo Fischer
Dec 22, 2006·The Journal of Physical Chemistry. B·Manuela MerchánDaniel Peláez
Jan 2, 2007·Proceedings of the National Academy of Sciences of the United States of America·Patrick M HareBern Kohler
Feb 6, 2007·The Journal of Physical Chemistry. a·Christel M Marian
Feb 15, 2007·Journal of the American Chemical Society·Shohei Yamazaki, Shigeki Kato
Mar 16, 2007·Proceedings of the National Academy of Sciences of the United States of America·Ivan BuchvarovTorsten Fiebig
Mar 29, 2007·The Journal of Physical Chemistry. a·Fabrizio SiciliaMichael A Robb
Mar 29, 2007·The Journal of Physical Chemistry. a·Mario Barbatti, Hans Lischka
Apr 7, 2007·The Journal of Chemical Physics·Michael G D NixMichael N R Ashfold
Sep 1, 2005·Journal of Chemical Theory and Computation·Luca De VicoRoland Lindh

❮ Previous
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Citations

Dec 17, 2011·The Journal of Physical Chemistry. a·Shohei Yamazaki, Tetsuya Taketsugu
Mar 21, 2013·The Journal of Physical Chemistry. a·Katharina RöttgerFriedrich Temps
Jun 20, 2013·The Journal of Physical Chemistry. a·João Paulo Gobbo, Antonio Carlos Borin
Nov 6, 2009·Physical Chemistry Chemical Physics : PCCP·Hiroya AsamiHiroyuki Saigusa
Oct 30, 2009·Physical Chemistry Chemical Physics : PCCP·Shohei YamazakiWolfgang Domcke
May 6, 2010·Physical Chemistry Chemical Physics : PCCP·Fabrizio SantoroRoberto Improta
Jun 10, 2011·Dalton Transactions : an International Journal of Inorganic Chemistry·Maria-Angels CarvajalCoen de Graaf
May 19, 2012·Physical Chemistry Chemical Physics : PCCP·Shohei Yamazaki, Tetsuya Taketsugu
May 10, 2012·Physical Chemistry Chemical Physics : PCCP·Berit HeggenWalter Thiel
Sep 12, 2013·Faraday Discussions·Matteo GuglielmiUrsula Rothlisberger
Mar 30, 2013·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Chopen Chan-Wut ChengWai-Ming Kwok
Jun 22, 2013·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Katharina RöttgerFriedrich Temps
Dec 1, 2010·Proceedings of the National Academy of Sciences of the United States of America·Mario BarbattiHans Lischka
Dec 3, 2008·The Journal of Chemical Physics·Daniel Roca-SanjuánMercedes Rubio
Jan 3, 2013·The Journal of Chemical Physics·Javier Segarra-MartíRoland Lindh
Jan 12, 2011·The Journal of Chemical Physics·Mario BarbattiHans Lischka
Oct 8, 2015·The Journal of Physical Chemistry. a·Yu Kay Law, Ali A Hassanali
Jul 19, 2016·The Journal of Physical Chemistry. a·Michał A KochmanR J Dwayne Miller
Jun 28, 2017·The Journal of Physical Chemistry. B·Sayan Mondal, Mrinalini Puranik
Nov 17, 2015·Physical Chemistry Chemical Physics : PCCP·Franziska BuchnerAndrea Lübcke
May 21, 2015·Physical Chemistry Chemical Physics : PCCP·Oliver M KirkbyHelen H Fielding
Sep 2, 2015·Physical Chemistry Chemical Physics : PCCP·M LigareM S de Vries
Jan 19, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Xiuxiu WuWolfgang Domcke
Jan 21, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Katharina RöttgerFriedrich Temps
Dec 10, 2015·Physical Chemistry Chemical Physics : PCCP·Deniz Tuna, Wolfgang Domcke
Sep 17, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Leticia GonzálezLuis Serrano-Andrés
Aug 27, 2014·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Lluís Blancafort
Oct 6, 2016·Nature Communications·Sebastian MaiLeticia González
Apr 28, 2009·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Zhenggang LanWalter Thiel
May 5, 2009·Journal of Computational Chemistry·Maja ParacWalter Thiel
Jan 14, 2010·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Gonzalo AnguloPatrice Jacques
Mar 19, 2019·Chemistry : a European Journal·Lara Martinez-FernandezRoberto Improta
Oct 10, 2019·Physical Chemistry Chemical Physics : PCCP·Marin SapunarNađa Došlić
Jun 6, 2009·Journal of Computational Chemistry·Francesco AquilanteRoland Lindh
Mar 11, 2010·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Ignacio VayáDimitra Markovitsi

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