Reassignment of the low lying cationic states in gas phase adenine and 9-methyl adenine

被引：35

作者：

Satzger, Helmut ^{[1
]}

Townsend, Dave ^{[1
]}

Stolow, Albert ^{[1
]}

机构：

[1] Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 430卷 / 1-3期

关键词：

RESOLVED PHOTOELECTRON-SPECTROSCOPY; IONIZATION-POTENTIALS; ULTRAVIOLET PHOTOELECTRON; ELECTRONIC-STRUCTURE; RNA BASES; DNA BASES; DYNAMICS; THYMINE; URACIL;

D O I：

10.1016/j.cplett.2006.08.122

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using time-resolved photoelectron spectroscopy results, we reassign the electronic character and ionization energies of the low lying cationic states of adenine and 9-methyl adenine. For adenine, the state ordering is D-0(pi(-1)) = 8.5 eV, D-1(n(-1)) = 9.6 eV, D-2(pi(-1)) approximate to D-3(n(-1)) approximate to 10.5 eV. For 9-methyl adenine, the assignment is the same with values of D-0(pi(-1)) = 8.4 eV, D-1(n(-1)) = 9.4 eV, D-2(n(-1)) approximate to D-3(n(-1)) approximate to 10.2 eV. Crown Copyright (c) 2006 Published by Elsevier B.V. All rights reserved.

引用

页码：144 / 148

页数：5

共 19 条

[1] Discerning vibronic molecular dynamics using time-resolved photoelectron spectroscopy [J].

Blanchet, V ;

Zgierski, MZ ;

Seideman, T ;

Stolow, A .

NATURE, 1999, 401 (6748) :52-54

[2] Calculation of the ionization potentials of the DNA bases in aqueous medium [J].

Close, DM .

JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (46) :10376-10379

[3] Ultrafast excited-state dynamics in nucleic acids [J].

Crespo-Hernández, CE ;

Cohen, B ;

Hare, PM ;

Kohler, B .

CHEMICAL REVIEWS, 2004, 104 (04) :1977-2019

[4]

Dolgounitcheva O, 2000, INT J QUANTUM CHEM, V80, P831, DOI 10.1002/1097-461X(2000)80:4/5<831::AID-QUA31>3.0.CO

[5]

2-W

[6]

Eland J., 1984, PHOTOELECTRON SPECTR

[7] Ionization potentials of nucleobase analogs using partial third-order electron propagator method [J].

Gomzi, V ;

Herak, JN .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 683 (1-3) :155-157

[8] ULTRAVIOLET PHOTOELECTRON STUDIES OF THE GROUND-STATE ELECTRONIC-STRUCTURE AND GAS-PHASE TAUTOMERISM OF PURINE AND ADENINE [J].

LIN, J ;

YU, C ;

PENG, S ;

AKIYAMA, I ;

LI, K ;

LEE, LK ;

LEBRETON, PR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (14) :4627-4631

[9] Methods and applications of femtosecond time-resolved photoelectron spectroscopy [J].

Lochbrunner, S ;

Larsen, JJ ;

Shaffer, JP ;

Schmitt, M ;

Schultz, T ;

Underwood, JG ;

Stolow, A .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2000, 112 (1-3) :183-198

[10] ULTRAVIOLET PHOTOELECTRON STUDIES OF BIOLOGICAL PURINES - VALENCE ELECTRONIC-STRUCTURE OF ADENINE [J].

PENG, S ;

PADVA, A ;

LEBRETON, PR .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1976, 73 (09) :2966-2968

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