Effect of hydrogen bonding on the structure and vibrational spectra of the complementary pairs of nucleic acid bases. II. adenine-thymine

被引：21

作者：

Ten, G. N. ^{[1
]}

Nechaev, V. V. ^{[1
]}

Pankratov, A. N. ^{[1
]}

Berezin, V. I. ^{[1
]}

Baranov, V. I. ^{[2
]}

机构：

[1] NG Chernyshevskii Saratov State Univ, Moscow, Russia

[2] Russian Acad Sci, VI Vernadsky Inst Geochem & Analyt Chem, Moscow 117901, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2010年 / 51卷 / 05期

关键词：

adenine; thymine; complementary pair; vibrational spectra; hydrogen bonding; interpretation; MATRIX-ISOLATION; COMPLEXES; URACIL; SPECTROSCOPY; RAMAN;

D O I：

10.1007/s10947-010-0130-z

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The vibrational spectra of an isolated complementary adenine-thymine pair are calculated in the B3LYP/6-311++G(d,p) approximation and analyzed. The effect of hydrogen bonds on the structure is shown along with the position of frequencies and intensities of normal vibrations of the pair in comparison with the spectra of isolated thymine and adenine molecules. A comparative analysis of the hydrogen bonding effect on the IR and Raman spectra of thymine and adenine is performed.

引用

页码：854 / 861

页数：8

共 37 条

[1] Effect of hydrogen bonding on the structure and vibrational spectra of the complementary pairs of nucleic acid bases. II. adenine-thymine
G. N. Ten
V. V. Nechaev
A. N. Pankratov
V. I. Berezin
V. I. Baranov
Journal of Structural Chemistry, 2010, 51 : 854 - 861
[2] Hydrogen bonding effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. I. Adenine-uracil
Ten, G. N.
Nechaev, V. V.
Pankratov, A. N.
Baranov, V. I.
JOURNAL OF STRUCTURAL CHEMISTRY, 2010, 51 (03) : 453 - 462
[3] Hydrogen bonding effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. I. Adenine-uracil
G. N. Ten
V. V. Nechaev
A. N. Pankratov
V. I. Baranov
Journal of Structural Chemistry, 2010, 51 : 453 - 462
[4] Hydrogen bond effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. III. Guanine-cytosine
G. N. Ten
A. A. Yakovleva
V. V. Nechaev
V. I. Baranov
Journal of Structural Chemistry, 2012, 53 : 835 - 844
[5] Hydrogen bond effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. III. Guanine-cytosine
Ten, G. N.
Yakovleva, A. A.
Nechaev, V. V.
Baranov, V. I.
JOURNAL OF STRUCTURAL CHEMISTRY, 2012, 53 (05) : 835 - 844
[6] The effect of π-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine-adenine, thymine-thymine and adenine-thymine dimers
Bravaya, Ksenia B.
Kostko, Oleg
Ahmed, Musahid
Krylov, Anna I.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 12 (10) : 2292 - 2307
[7] STUDY OF HYDROGEN BONDING IN ADENINE-THYMINE ADENINE-CYTOSINE AND GUANINE-THYMINE BASE PAIRS
LUNELL, S
SPERBER, G
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06): : 2119 - &
[8] Calculation and analysis of vibrational spectra of adenine-thymine, guanine-cytosine, and adenine-uracil complementary pairs in the condensed state
Ten, G. N.
Burova, T. G.
Baranov, V. I.
JOURNAL OF APPLIED SPECTROSCOPY, 2009, 76 (01) : 73 - 81
[9] Computationally assisted vibrational spectroscopy of nucleic acid bases. 2. Thymine
Katsyuba, Sergey A.
Burganov, Timur I.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2024, 309
[10] STRUCTURE, ENERGETICS, AND HARMONIC VIBRATIONAL-SPECTRA OF THE ADENINE-THYMINE AND ADENINE-ASTERISK-THYMINE-ASTERISK BASE-PAIRS - GRADIENT NONEMPIRICAL AND SEMIEMPIRICAL STUDY
HROUDA, V
FLORIAN, J
HOBZA, P
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (08): : 1542 - 1557

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