Vibrational spectroscopic study on 2-[2-(4-dipropylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium chloride

被引：4
|
作者：
Billes, Ferenc [1 ,2 ]
Szabo, Andras [3 ]
Studenyak, Yaroslav [4 ]
机构：
[1] Budapest Univ Technol & Econ, Dept Phys Chem & Mat Sci, H-1521 Budapest, Hungary
[2] Vienna Univ Technol, Inst Chem Technol & Analyt, A-1060 Vienna, Austria
[3] Budapest Univ Technol & Econ, Dept Organ Chem & Technol, H-1521 Budapest, Hungary
[4] Uzhgorod Natl Univ, Dept Analyt Chem, UA-88000 Uzhgorod, Ukraine
来源：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2011年 / 78卷 / 03期
基金：
匈牙利科学研究基金会;
关键词：
Styryl dye; Vibrational spectra; Quantum chemistry; Normal coordinate analysis; Spectrum simulation; Solvent effect; ETHER STYRYL DYES; SPECTROPHOTOMETRIC DETERMINATION; RAMAN-SPECTRA; COMPLEXES; REAGENT; ENERGY;
D O I：
10.1016/j.saa.2010.12.007
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
A new styryl dye were prepared, 2-[2-(4-dipropylamino-phenyl)-vinyl]-1,3,3-trimethy1-3H-indolium chloride (DPPTVI) chloride. Its infrared and Raman were measured. Quantum chemical calculations were computed for both the isolated and the solute cation. Optimized geometry, atomic net charges were calculated. The calculated vibrational frequencies were scaled to the experimental ones. Only 12 scale factors were used for the scaling of 174 vibrational modes. Based on these results, normal coordinate analysis were carried out for both the isolated and the solute cations. Infrared and Raman spectra were simulated. The results for the isolated and the solute cations were compared. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：967 / 980
页数：14
相关论文
共 50 条
  • [1] Structure and properties of 2-[(E)-2-(4-dipropylaminophenyl)-1-ethenyl]-1,3,3-trimethyl-3H-indolium chloride
    Martina Lešková
    Yaroslav R. Bazel
    Marcel Torok
    Yaroslav Studenyak
    [J]. Chemical Papers, 2013, 67 : 415 - 422
  • [2] Structure and properties of 2-[(E)-2-(4-dipropylaminophenyl)-1-ethenyl]-1,3,3-trimethyl-3H-indolium chloride
    Leskova, Martina
    Bazel, Yaroslav R.
    Torok, Marcel
    Studenyak, Yaroslav
    [J]. CHEMICAL PAPERS, 2013, 67 (04) : 415 - 422
  • [3] Investigation of 2-[2-(4-methoxy-phenylamino)-vinyl]-1,3,3-trimethyl-3H-indolium chloride as a new reagent for the determination of chromium(VI)
    Andruch, V
    Telepcáková, M
    Balogh, IS
    Urbanová, N
    [J]. MICROCHIMICA ACTA, 2003, 142 (1-2) : 109 - 113
  • [4] Investigation of 2-[2-(4-Methoxy-phenylamino)-vinyl]-1,3,3-trimethyl-3H-indolium Chloride as a New Reagent for the Determination of Chromium(VI)
    Vasil Andruch
    Monika Telepc˘áková
    Ioseph S. Balogh
    Nikoleta Urbanová
    [J]. Microchimica Acta, 2003, 142 : 109 - 113
  • [5] Investigation of the acid-base properties of 2-[2-(4-methoxy-phenylamino)-vinyl]-1,3,3-trimethyl-3H-indolium reagent
    Andruch, Vasil
    Balogh, Ioseph S.
    Bazel, Yaroslav R.
    Billes, Ferenc
    Kadar, Mihaly
    Karosi, Roland
    Parlagh, Gyula
    Posta, Jzsef
    Simon, Andras
    Serbin, Rastislav
    Torok, Marcel
    [J]. ACTA CHIMICA SLOVENICA, 2007, 54 (03) : 551 - 557
  • [6] Extractive separation, preconcentration, spectrophotometric and atomic absorption determination of gold as an ion associate with 2-[2-(4-methoxyphenylamino)vinyl]-1,3,3-trimethyl-3H-indolium chloride
    Serbin, R.
    Bazel, Y. R.
    Andruch, V.
    Balogh, I. S.
    [J]. JOURNAL OF ANALYTICAL CHEMISTRY, 2011, 66 (09) : 800 - 806
  • [7] Extractive separation, preconcentration, spectrophotometric and atomic absorption determination of gold as an ion associate with 2-[2-(4-methoxyphenylamino)vinyl]-1,3,3-trimethyl-3H-indolium chloride
    R. Serbin
    Y. R. Bazel
    V. Andruch
    I. S. Balogh
    [J]. Journal of Analytical Chemistry, 2011, 66 : 800 - 806
  • [8] Investigation of the Reaction of Gold(III) with 2-[2-(4-Dimethylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium. Application for Determination of Gold
    Serbin, Rastislav
    Bazel, Yaroslav R.
    Torok, Marcel
    Havel, Josef
    Balogh, Ioseph S.
    Kormosh, Zholt O.
    Holeczyova, Gabriela
    Andruch, Vasil
    [J]. JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2009, 56 (06) : 1168 - 1174
  • [9] Investigation of 2-[(E)-2-(4-diethylaminophenyl)-1-ethenyl]-1,3,3-trimethyl-3H-indolium as a new highly sensitive reagent for the spectrophotometric determination of nitrophenols
    Shkumbatiuk, R
    Bazel, YR
    Andruch, V
    Török, M
    [J]. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 2005, 382 (06) : 1431 - 1437
  • [10] Investigation of 2-[(E)-2-(4-diethylaminophenyl)-1-ethenyl]-1,3,3-trimethyl-3H-indolium as a new highly sensitive reagent for the spectrophotometric determination of nitrophenols
    Roman Shkumbatiuk
    Yaroslav R. Bazel
    Vasil Andruch
    Marcel Török
    [J]. Analytical and Bioanalytical Chemistry, 2005, 382 : 1431 - 1437
12345