Theoretical study of the ir spectra of 3-chloropyridine and 3-chloropyridine metal complexes

被引：18

作者：

Bakiler, M ^{[1
]}

Maslov, IV

Akyüz, S

机构：

[1] Mimar Sinan Univ, Dept Phys, TR-80690 Istanbul, Turkey

[2] RAS, VI Vernadskii Inst Geochem & Analyt Chem, Moscow 117972, Russia

[3] Istanbul Univ, Dept Phys, TR-34459 Istanbul, Turkey

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 482卷

关键词：

normal coordinate analysis; chloropyridine; complex; IR spectrum; force field and electro-optical parameters;

D O I：

10.1016/S0022-2860(98)00767-4

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：

The vibrational spectrum of 3-chloropyridine was calculated on the basis of normal coordinate analysis. Quantum optimized (MNDO) geometry was used for spectral calculations. The refined force field and electro-optical parameters are found to reproduce well experimental IR spectrum of liquid 3-chloropyridine. The coordination effect on the ligand vibrational modes was also investigated. The calculated results indicate the presence of some alterations on the ring force field of the molecule in complex formation. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：379 / 383

页数：5

共 50 条

[41] SPECTROPHOTOMETRIC AND NMR-STUDIES OF BIS (TRI-PARA-TOLYLPHOSPHINE) CHLORORHODIUM .1. 3-CHLOROPYRIDINE COMPLEX AND THEIR DIHYDRIDE
YOU, XZ
DRAGO, RS
MILLER, JG
ACTA CHIMICA SINICA, 1984, 42 (01) : 14 - 19
[42] New monomeric mixed-ligand complex of iron(III)-3-chloropyridine: Synthesis, structure, luminescence, electrochemical and magnetic properties
Sundaram, Ganeshraja Ayyakannu
Vaithinathan, Karthikeyan
Anbalagan, Krishnamoorthy
JOURNAL OF MOLECULAR STRUCTURE, 2021, 1225
[43] A comparative study of photocatalytic degradation of 3-chloropyridine under UV and solar light by homogeneous (photo-Fenton) and heterogeneous (TiO2) photocatalysis
Ortega-Liebana, M. C.
Sanchez-Lopez, E.
Hidalgo-Carrillo, J.
Marinas, A.
Marinas, J. M.
Urbano, F. J.
APPLIED CATALYSIS B-ENVIRONMENTAL, 2012, 127 : 316 - 322
[44] MONOMER - DIMER EQUILIBRIA IN SOLUTIONS OF COPPER(II) CARBOXYLATES .1. CU(CH3COO)2 - 3-CHLOROPYRIDINE - CHLOROBENZENE SYSTEM
SZPAKOWSKA, M
URUSKA, I
POLISH JOURNAL OF CHEMISTRY, 1980, 54 (09) : 1661 - 1670
[45] 57Fe Mössbauer spectroscopic and magnetic study of a spin-crossover polymer complex, Fe(3-chloropyridine)2Ni(CN)4
Department of Chemistry, Faculty of Science, Toho University, Miyama, Funabashi, Chiba 274, Japan
不详
J. Radioanal. Nucl. Chem., 2 (285-290):
[46] 57Fe Mossbauer spectroscopic and magnetic study of a spin-crossover polymer complex, Fe(3-chloropyridine)2Ni(CN)4
Kitazawa, T
Takahashi, M
Takahashi, M
Enomoto, M
Miyazaki, A
Enoki, T
Takeda, M
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, 1999, 239 (02) : 285 - 290
[47] Pressure-Induced Magnetic Crossover Driven by Hydrogen Bonding in CuF2(H2O)2(3-chloropyridine)
Kenneth R. O'Neal
Tatiana V. Brinzari
Joshua B. Wright
Chunli Ma
Santanab Giri
John A. Schlueter
Qian Wang
Puru Jena
Zhenxian Liu
Janice L. Musfeldt
Scientific Reports, 4
[48] Pressure-Induced Magnetic Crossover Driven by Hydrogen Bonding in CuF2(H2O)2(3-chloropyridine)
O'Neal, Kenneth R.
Brinzari, Tatiana V.
Wright, Joshua B.
Ma, Chunli
Giri, Santanab
Schlueter, John A.
Wang, Qian
Jena, Puru
Liu, Zhenxian
Musfeldt, Janice L.
SCIENTIFIC REPORTS, 2014, 4
[49] 57Fe Mössbauer spectroscopic and magnetic study of a spin-crossover polymer complex, Fe(3-chloropyridine)2Ni(CN)4
T. Kitazawa
Mi. Takahashi
Ma. Takahashi
M. Enomoto
A. Miyazaki
T. Enoki
M. Takeda
Journal of Radioanalytical and Nuclear Chemistry, 1999, 239 : 285 - 290
[50] Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)
Lapidus, Saul H.
Manson, Jamie L.
Park, Hyunsoo
Clement, Alexander J.
Ghannadzadeh, Saman
Goddard, Paul
Lancaster, Tom
Moeller, Johannes S.
Blundell, Stephen J.
Telling, Mark T. F.
Kang, Jinhee
Whangbo, Myung-Hwan
Schlueter, John A.
CHEMICAL COMMUNICATIONS, 2013, 49 (05) : 499 - 501

← 1 2 3 4 5 →