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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 5-7: A Special Issue in Honour of Professor Michael Albert Robb
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Original Articles

Ab initio studies of the photophysics of 2-aminopurine

S. Perun Polish Academy of Sciences, Warsaw
,
A. L. Sobolewski Polish Academy of Sciences, Warsaw
&
W. Domcke Technical University of Munich, GermanyCorrespondence[email protected]
Pages 1113-1121 | Received 19 Apr 2005, Accepted 27 Jun 2005, Published online: 21 Feb 2007

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Michael L. Hause, Y. Heidi Yoon & F. Fleming Crim. (2008) Vibrationally mediated photodissociation of ammonia: product angular distributions from adiabatic and nonadiabatic dissociation. Molecular Physics 106:9-10, pages 1127-1133.
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Articles from other publishers (43)

Gregory Gate, Ann Williams, Samuel Boldissar, Jiří Šponer, Rafal Szabla & Mattanjah de Vries. (2023) The tautomer‐specific excited state dynamics of 2,6‐diaminopurine using resonance‐enhanced multiphoton ionization and quantum chemical calculations. Photochemistry and Photobiology 100:2, pages 404-418.
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Nadim Shahriar Russel, Goutham Kodali, Robert J. Stanley & Madhavan Narayanan. (2023) Screening for Novel Fluorescent Nucleobase Analogues Using Computational and Experimental Methods: 2-Amino-6-chloro-8-vinylpurine (2A6Cl8VP) as a Case Study. The Journal of Physical Chemistry B 127:37, pages 7858-7871.
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Dmytro Dziuba, Pascal Didier, Stefano Ciaco, Anders Barth, Claus A. M. Seidel & Yves Mély. (2021) Fundamental photophysics of isomorphic and expanded fluorescent nucleoside analogues. Chemical Society Reviews 50:12, pages 7062-7107.
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Vinnarasi Saravanan, Akilan Rajamani, Saranya Vasudevan & Shankar Ramasamy. (2020) Exploring the nature of interaction and stability between DNA/RNA base pairs and defective & defect-dopant graphene sheets. A possible insights on DNA/RNA sequencing. International Journal of Biological Macromolecules 146, pages 387-404.
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Lara Martínez-Fernández, Serra Arslancan, Dmytro Ivashchenko, Carlos E. Crespo-Hernández & Inés Corral. (2019) Tracking the origin of photostability in purine nucleobases: the photophysics of 2-oxopurine. Physical Chemistry Chemical Physics 21:25, pages 13467-13473.
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Lara Martinez‐Fernandez, Krishna Gavvala, Rajans Sharma, Pascal Didier, Ludovic Richert, Javier Segarra Martì, Mattia Mori, Yves Mely & Roberto Improta. (2019) Excited‐State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine. Chemistry – A European Journal 25:30, pages 7375-7386.
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Graham D. BullKatherine C. Thompson. (2018) Proton Transfer and Tautomerism in 2-Aminopurine–Thymine and Pyrrolocytosine–Guanine Base Pairs. Biochemistry 57:30, pages 4547-4561.
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Hendrik Böhnke, Katharina Röttger, Rebecca A. Ingle, Hugo J. B. Marroux, Mats Bohnsack, Andrew J. Orr-Ewing & Friedrich Temps. (2018) Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy. Physical Chemistry Chemical Physics 20:30, pages 20033-20042.
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S. Saha & H. M. Quiney. (2017) Solvent effects on the excited state characteristics of adenine–thymine base pairs. RSC Advances 7:53, pages 33426-33440.
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Carlos E. Crespo-Hernández, Lara Martínez-Fernández, Clemens Rauer, Christian Reichardt, Sebastian Mai, Marvin Pollum, Philipp Marquetand, Leticia González & Inés Corral. (2015) Electronic and Structural Elements That Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives. Journal of the American Chemical Society 137:13, pages 4368-4381.
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Mario Barbatti & Hans Lischka. (2015) Why water makes 2-aminopurine fluorescent?. Physical Chemistry Chemical Physics 17:23, pages 15452-15459.
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Simon Lobsiger, Susan Blaser, Rajeev K. Sinha, Hans-Martin Frey & Samuel Leutwyler. (2014) Switching on the fluorescence of 2-aminopurine by site-selective microhydration. Nature Chemistry 6:11, pages 989-993.
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Shohei Yamazaki, Shu-hei Urashima, Hiroyuki Saigusa & Tetsuya Taketsugu. (2014) Ab Initio Studies on the Photophysics of Uric Acid and Its Monohydrates: Role of the Water Molecule. The Journal of Physical Chemistry A 118:6, pages 1132-1141.
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Maria A. Trachsel, Simon Lobsiger, Tobias Schär & Samuel Leutwyler. (2014) Low-lying excited states and nonradiative processes of 9-methyl-2-aminopurine. The Journal of Chemical Physics 140:4.
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Spiridoula Matsika. 2015. Photoinduced Phenomena in Nucleic Acids I. Photoinduced Phenomena in Nucleic Acids I 209 243 .
Simon Lobsiger, Rajeev K. Sinha & Samuel Leutwyler. (2013) Building Up Water-Wire Clusters: Isomer-Selective Ultraviolet and Infrared Spectra of Jet-Cooled 2-Aminopurine (H 2 O) n , n = 2 and 3 . The Journal of Physical Chemistry B 117:41, pages 12410-12421.
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JingXin Liang, Quynh L. Nguyen & Spiridoula Matsika. (2013) Exciplexes and conical intersections lead to fluorescence quenching in π-stacked dimers of 2-aminopurine with natural purine nucleobases. Photochemical & Photobiological Sciences 12:8, pages 1387-1400.
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Christian Reichardt, Chengwei Wen, R. Aaron Vogt & Carlos E. Crespo-Hernández. (2013) Role of intersystem crossing in the fluorescence quenching of 2-aminopurine 2’-deoxyriboside in solution. Photochemical & Photobiological Sciences 12:8, pages 1341-1350.
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Melis Gedik & Alex Brown. (2013) Computational study of the excited state properties of modified RNA nucleobases. Journal of Photochemistry and Photobiology A: Chemistry 259, pages 25-32.
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Anke Dierckx, Francois‐Alexandre Miannay, Nouha Ben Gaied, Søren Preus, Markus Björck, Tom Brown & L. Marcus Wilhelmsson. (2012) Quadracyclic Adenine: A Non‐Perturbing Fluorescent Adenine Analogue. Chemistry – A European Journal 18:19, pages 5987-5997.
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Rajeev K. Sinha, Simon Lobsiger, Maria Trachsel & Samuel Leutwyler. (2011) Vibronic Spectra of Jet-Cooled 2-Aminopurine·H 2 O Clusters Studied by UV Resonant Two-Photon Ionization Spectroscopy and Quantum Chemical Calculations . The Journal of Physical Chemistry A 115:23, pages 6208-6217.
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Dana Nachtigallová, Adélia J. A. Aquino, Jaroslaw J. Szymczak, Mario Barbatti, Pavel Hobza & Hans Lischka. (2011) Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms. The Journal of Physical Chemistry A 115:21, pages 5247-5255.
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JingXin Liang & Spiridoula Matsika. (2011) Pathways for Fluorescence Quenching in 2-Aminopurine π-Stacked with Pyrimidine Nucleobases. Journal of the American Chemical Society 133:17, pages 6799-6808.
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Simon Lobsiger, Rajeev K. Sinha, Maria Trachsel & Samuel Leutwyler. (2011) Low-lying excited states and nonradiative processes of the adenine analogues 7H- and 9H-2-aminopurine. The Journal of Chemical Physics 134:11.
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Mario Barbatti, Adélia J. A. Aquino, Jaroslaw J. Szymczak, Dana Nachtigallová & Hans Lischka. (2011) Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation. Physical Chemistry Chemical Physics 13:13, pages 6145.
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Goutham Kodali, Kurt A. Kistler, Madhavan Narayanan, Spiridoula Matsika & Robert J. Stanley. (2009) Change in Electronic Structure upon Optical Excitation of 8-Vinyladenosine: An Experimental and Theoretical Study. The Journal of Physical Chemistry A 114:1, pages 256-267.
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Szymon Smolarek, Anouk M. Rijs, Wybren Jan Buma & Marcel Drabbels. (2010) Absorption spectroscopy of adenine, 9-methyladenine, and 2-aminopurine in helium nanodroplets. Physical Chemistry Chemical Physics 12:48, pages 15600.
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Walid Mohamed Ibrahim Hassan, Wilfredo Credo Chung, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono & Yuichi Fujimura. (2010) Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine. Physical Chemistry Chemical Physics 12:20, pages 5317.
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Jaroslaw J. SzymczakMario BarbattiJason T. Soo HooJaclyn A. AdkinsTheresa L. WindusDana NachtigallováHans Lischka. (2009) Photodynamics Simulations of Thymine: Relaxation into the First Excited Singlet State. The Journal of Physical Chemistry A 113:45, pages 12686-12693.
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Ke Feng, Gernot Engler, Kai Seefeld & Karl Kleinermanns. (2009) Dispersed Fluorescence and Delayed Ionization of Jet‐Cooled 2‐Aminopurine: Relaxation to a Dark State Causes Weak Fluorescence. ChemPhysChem 10:6, pages 886-889.
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Roslyn S. Butler, Pamela Cohn, Phillip Tenzel, Khalil A. Abboud & Ronald K. Castellano. (2008) Synthesis, Photophysical Behavior, and Electronic Structure of Push−Pull Purines. Journal of the American Chemical Society 131:2, pages 623-633.
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Kurt A. Kistler & Spiridoula Matsika. 2009. Multi-scale Quantum Models for Biocatalysis. Multi-scale Quantum Models for Biocatalysis 285 339 .
Elizabeth Mburu & Spiridoula Matsika. (2008) An Ab Initio Study of Substituent Effects on the Excited States of Purine Derivatives. The Journal of Physical Chemistry A 112:48, pages 12485-12491.
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Shohei Yamazaki & Wolfgang Domcke. (2008) Ab Initio Studies on the Photophysics of Guanine Tautomers: Out-of-Plane Deformation and NH Dissociation Pathways to Conical Intersections. The Journal of Physical Chemistry A 112:30, pages 7090-7097.
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Benjamin G. Levine, Joshua D. Coe, Aaron M. Virshup & Todd J. Martínez. (2008) Implementation of ab initio multiple spawning in the Molpro quantum chemistry package. Chemical Physics 347:1-3, pages 3-16.
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Andrei Piryatinski, Sergei Tretiak & Vladimir Y. Chernyak. (2008) Dynamical variational approach to non-adiabatic electronic structure. Chemical Physics 347:1-3, pages 25-38.
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Goutham Kodali, Kurt A. Kistler, Spiridoula Matsika & Robert J. Stanley. (2008) 2-Aminopurine Excited State Electronic Structure Measured by Stark Spectroscopy. The Journal of Physical Chemistry B 112:6, pages 1789-1795.
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Eva Muchová, Petr Slavíček, Andrzej L. Sobolewski & Pavel Hobza. (2007) Glycine in an Electronically Excited State:  Ab Initio Electronic Structure and Dynamical Calculations. The Journal of Physical Chemistry A 111:24, pages 5259-5269.
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Mario Barbatti & Hans Lischka. (2007) Can the Nonadiabatic Photodynamics of Aminopyrimidine Be a Model for the Ultrafast Deactivation of Adenine?. The Journal of Physical Chemistry A 111:15, pages 2852-2858.
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Christel M. Marian. (2007) The Guanine Tautomer Puzzle:  Quantum Chemical Investigation of Ground and Excited States. The Journal of Physical Chemistry A 111:8, pages 1545-1553.
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Wilfredo Credo Chung, Zhenggang Lan, Yukiyoshi Ohtsuki, Noriyuki Shimakura, Wolfgang Domcke & Yuichi Fujimura. (2007) Conical intersections involving the dissociative 1 πσ* state in 9H-adenine: a quantum chemical ab initio study . Phys. Chem. Chem. Phys. 9:17, pages 2075-2084.
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