Protonation of benzimidazoles and 1,2,3-benzotriazoles - Solid-state linear dichroic infrared (IR-LD) spectral analysis and ab initio calculations

被引：3

作者：

Ivanova, Bojidarka B. ^{[1
]}

Pindeva, Liliya I.

机构：

[1] Univ Sofia, Dept Chem, Sofia 1164, Bulgaria

[2] Tech Univ Sofia, Dept Chem, Sofia 1756, Bulgaria

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2006年 / 797卷 / 1-3期

关键词：

1-hydroxy-1,2,3-benzotriazole; 2-methyl-; and; 2-acetonitrilebenzimidazoles; protonated salts; IR-LD analysis; ab initio calculations;

D O I：

10.1016/j.molstruc.2006.03.049

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：

IR-LD spectroscopic data obtained by the orientated solid samples as a suspension in a nematic liquid crystal of 1-hydroxy-1,2,3-benzotriazole, 2-methyl-, 2-acetonitrilebenzimidazoles and their protonated salts have been presented. The stereo-structures have been predicted and compared with theoretical ones. The IR-characteristic bands assignments of all molecule systems have been achieved. (c) 2006 Published by Elsevier B.V.

引用

页码：144 / 153

页数：10

共 13 条

[1] Aromatic dipeptides and their salts - Solid-state linear-dichroic infrared (IR-LD) spectral analysis and ab initio calculations
Ivanova, Bojidarka B.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2008, 70 (02) : 324 - 331
[2] Linear-dichroic infrared spectral (IR-LD) analysis of codeine and its derivatives
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[3] Stereo-structural and IR-spectral characterization of histidine containing dipeptides by means of solid-state IR-LD spectroscopy and ab initio calculations
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[4] Solid state linear-dichroic infrared (IR-LD) spectroscopic characterization of α- and β-glycine polymorphs
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[5] Solid state linear dichroic infrared spectral analysis of benzimidazoles and their N1-protonated salts
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[6] Solid-state linear-dichroic infrared (IR-LD) spectroscopic and theoretical characterization of 2-[(2-ethoxy-3,4-dioxocyclobut-1-en-yl)amino]propanamide
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[7] Crystal structure and linear-dichroic infrared (IR-LD) spectral analysis of N,N′-diethyl-4-vinylbenzamidinium squarate
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B. B. Koleva
M. Emgenbroich
M. Spiteller
W. S. Sheldrick
H. Mayer-Figge
Structural Chemistry, 2006, 17 : 631 - 637
[8] Crystal structure and linear-dichroic infrared (IR-LD) spectral analysis of N,N′-diethyl-4-vinylbenzamidinium squarate
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Koleva, B. B.
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[9] IR-LD Spectral Study and ab Initio Calculations of 1-Phenyl 3-Substituted Pyrazol-5-Ones
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Structural Chemistry, 2005, 16 : 47 - 53
[10] IR-LD spectral study and ab initio calculations of 1-phenyl 3-substituted pyrazol-5-ones
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Chapkanov, AG
Arnaudov, MG
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STRUCTURAL CHEMISTRY, 2005, 16 (01) : 47 - 53

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