Structural characterization and some coordinational aspects of tetrathiacalix[4]arenes functionalized by hydrazide groups

被引：8

作者：

Podyachev, Sergey N. ^{[1
]}

Gubaidullin, Aidar T. ^{[1
]}

Syakaev, Victor V. ^{[1
]}

Sudakova, Svetlana N. ^{[1
]}

Masliy, Aleksey N. ^{[2
]}

Saifina, Alina F. ^{[1
]}

Burmakina, Nadezda E. ^{[2
]}

Kuznetsov, Andrey M. ^{[2
]}

Shagidullin, Roald R. ^{[1
]}

Avvakumova, Ludmila V. ^{[1
]}

Konovalov, Alexander I. ^{[1
]}

机构：

[1] Russian Acad Sci, Kazan Sci Ctr, AE Arbuzov Organ & Phys Chem Inst, Kazan 420088, Russia

[2] Kazan State Technol Univ, Kazan 420015, Russia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2010年 / 967卷 / 1-3期

基金：

俄罗斯基础研究基金会;

关键词：

Calix[4]arene; Hydrazide; Crystal structure; Conformation; Complexation; DFT studies; ACETYLHYDRAZIDE GROUPS; 4-TERT-BUTYLPHENOXYACETYLHYDRAZONES; CONFORMATION; RECEPTOR;

D O I：

10.1016/j.molstruc.2009.12.042

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 structural peculiarities of tetrathiacalix[4]arenes with acetylhydrazide substitutes in cone and 1,3-alternate conformations have been determined by means of X-ray analysis, IR and NMR spectroscopy. The structural and molecular modeling data were used in the interpretation of binding properties of calix[4]arene tetrahydrazides. The quantum-chemical calculations at the DFT level using the PBE exchange-correlation functional were performed for the complexation of 1,3-alternate conformer of tetrathiacalix[4]arene with Ag+ ion. It was shown that the removal of tert-butyl groups from tert-butyltetrathiacalix[4]arene platform facilitates a bis-ligand coordination of the metal ion and leads to a remarkable increase of Ag+ extraction efficiency. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：72 / 79

页数：8

共 50 条

[1] The conformation and dynamic behaviour of tetrathiacalix[4]arenes functionalized by hydrazide and hydrazone groups
Syakaev, Victor V.
Podyachev, Sergey N.
Gubaidullin, Aidar T.
Sudakova, Svetlana N.
Konovalov, Alexander I.
JOURNAL OF MOLECULAR STRUCTURE, 2008, 885 (1-3) : 111 - 121
[2] Quantum chemical study of the self-assembly of tetrathiacalix[4]arenes and their oxygen analogs functionalized by hydrazide groups
D. V. Steglenko
I. S. Ryzhkina
A. I. Konovalov
A. G. Starikov
V. I. Minkin
Russian Chemical Bulletin, 2016, 65 : 47 - 53
[3] Quantum chemical study of the self-assembly of tetrathiacalix[4]arenes and their oxygen analogs functionalized by hydrazide groups
Steglenko, D. V.
Ryzhkina, I. S.
Konovalov, A. I.
Starikov, A. G.
Minkin, V. I.
RUSSIAN CHEMICAL BULLETIN, 2016, 65 (01) : 47 - 53
[4] Supramolecular self-assemblies of stereoisomers of p-tert-butyl thiacalix[4]arenes functionalized with hydrazide groups at the lower rim with some metal cations
Stoikov, Ivan I.
Yushkova, Elena A.
Zharov, Ilya
Antipin, Igor S.
Konovalov, Alexander I.
TETRAHEDRON, 2009, 65 (34) : 7109 - 7114
[5] Influence of Spatial Isomerism of Tetrathiacalix[4]arene Functionalized by Hydrazide Groups on Self-Organization and Physicochemical Properties of Aqueous Dimethyl Sulfoxide Solutions of Low Concentration
Ryzhkina, I. S.
Kiseleva, Yu. V.
Mishina, O. A.
Murtazina, L. I.
Sudakova, S. N.
Podyachev, S. N.
Konovalov, Academician A. I.
DOKLADY PHYSICAL CHEMISTRY, 2013, 453 : 264 - 269
[6] Influence of spatial isomerism of tetrathiacalix[4]arene functionalized by hydrazide groups on self-organization and physicochemical properties of aqueous dimethyl sulfoxide solutions of low concentration
I. S. Ryzhkina
Yu. V. Kiseleva
O. A. Mishina
L. I. Murtazina
S. N. Sudakova
S. N. Podyachev
A. I. Konovalov
Doklady Physical Chemistry, 2013, 453 : 264 - 269
[7] Stepwise synthesis and structural characterization of calix[4]- and calix[5]arenes bearing a functionalized arm on the methylene bridge
Bergamaschi, M.
Bigi, F.
Lanfranchi, M.
Maggi, R.
Tetrahedron, 53 (38):
[8] 1,3-Alternate calix[4]arenes, selectively functionalized by amino groups
Danila, C
Bolte, M
Böhmer, V
ORGANIC & BIOMOLECULAR CHEMISTRY, 2005, 3 (01) : 172 - 184
[9] Extraction of cesium by calix[4]arenes functionalized with proton-ionizable groups.
Delmau, LH
Engle, NL
Moyer, BA
Bonnesen, PV
Zhou, H
Wegiel, MA
Bartsch, RA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U318 - U318
[10] Stepwise synthesis and structural characterization of calix[4]- and calix[5]arenes bearing a functionalized arm on the methylene bridge.
Bergamaschi, M
Bigi, F
Lanfranchi, M
Maggi, R
Pastorio, A
Pellinghelli, MA
Peri, F
Porta, C
Sartori, G
TETRAHEDRON, 1997, 53 (38) : 13037 - 13052

← 1 2 3 4 5 →