Rhenium(V) oxocomplexes incorporating 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolate ligand: X-ray studies, spectroscopic characterization and DFT calculations

被引：4

作者：

Machura, B. ^{[1
]}

Wolff, M. ^{[1
]}

Switlicka, A. ^{[1
]}

Gryca, I. ^{[1
]}

Nawrot, I. ^{[1
]}

Kruszynski, R. ^{[2
]}

机构：

[1] Univ Silesia, Inst Chem, Dept Crystallog, PL-40006 Katowice, Poland

[2] Tech Univ Lodz, Inst Gen & Ecol Chem, Dept X Ray Crystallog & Crystal Chem, PL-90924 Lodz, Poland

来源：

STRUCTURAL CHEMISTRY | 2011年 / 22卷 / 04期

关键词：

Rhenium(V) oxo complexes; 2-(2H-benzotriazol-2-yl)-4; 6-Di-tert-pentylphenol; X-ray and electronic structure; DFT calculations; NBO analysis; OXYGEN-ATOM TRANSFER; OXORHENIUM COMPLEXES; 8-QUINOLINOLATO LIGAND; SPACER LENGTH; (REO)-O-V; DIPHOSPHINES; TECHNETIUM; CHEMISTRY; PRODUCTS;

D O I：

10.1007/s11224-011-9753-8

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Novel rhenium(V) oxocomplexes have been obtained in the reactions of [ReOX3(EPh3)(2)] (X = Cl, Br; E = P, As) with 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenol (HL). All the compounds were identified by elemental analysis IR, UV-Vis spectroscopy and X-ray crystallography. The electronic structure and spectroscopic features of [ReOBr2(L)(PPh3)] have been further investigated by means of the density functional theory (DFT) and time-dependent DFT methods. Additional information about binding in the title compounds has been obtained by NBO analysis.

引用

页码：765 / 774

页数：10

共 50 条

[41] Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(I) core
Carreno, Alexander
Gacitua, Manuel
Schott, Eduardo
Zarate, Ximena
Manuel Manriquez, Juan
Preite, Marcelo
Ladeira, Sonia
Castel, Annie
Pizarro, Nancy
Vega, Andres
Chavez, Ivonne
Arratia-Perez, Ramiro
NEW JOURNAL OF CHEMISTRY, 2015, 39 (07) : 5725 - 5734
[42] X-ray studies, spectroscopic characterization and DFT calculations for Mn(II), Ni(II) and Cu(II) complexes with 2-benzoylpyridine
Malecki, J. G.
Machura, B.
Switlicka, A.
Kusz, J.
POLYHEDRON, 2011, 30 (02) : 410 - 418
[43] Seven-coordinate rhenium(III) complexes of 1-(2-pyridylazo)-2-naphtholate: X-ray studies, spectroscopic characterization and DFr calculations
Machura, B.
Mrozinski, J.
Kruszynski, R.
Kusz, J.
POLYHEDRON, 2008, 27 (13) : 3013 - 3019
[44] Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine
Inkaya, Ersin
Gunnaz, Salih
Ozdemir, Namik
Dayan, Osman
Dincer, Muharrem
Cetinkaya, Bekir
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 103 : 255 - 263
[45] X-ray Single Crystal Structure, DFT Calculations and Biological Activity of 2-(3-Methyl-5-(pyridin-2′-yl)-1H-pyrazol-1-yl) Ethanol
Radi, Smaail
Attayibat, Ahmed
El-Massaoudi, Mohamed
Salhi, Amin
Eddike, Driss
Tillard, Monique
Mabkhot, Yahia N.
MOLECULES, 2016, 21 (08):
[46] X-RAY PHOTOELECTRON SPECTROSCOPIC STUDIES OF H2SO4 PROTONATED POLYANILINE
KANG, ET
NEOH, KG
WOO, YL
TAN, KL
POLYMER, 1992, 33 (13) : 2857 - 2859
[47] X-ray absorption spectroscopic studies of chromium(V/IV/III)2-ethyl-2-hydroxybutanoato(2-/1-) complexes
Levina, A
Codd, R
Foran, GJ
Hambley, TW
Maschmeyer, T
Masters, AF
Lay, PA
INORGANIC CHEMISTRY, 2004, 43 (03) : 1046 - 1055
[48] X-ray absorption spectroscopic and electrochemical studies of tris(catecholato (2-))chromate (V/I V/III) complexes
Levina, A
Foran, GJ
Pattison, DI
Lay, PA
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 43 (04) : 462 - 465
[49] DFT theoretical, spectroscopic and X-ray diffraction studies on 4-methyl-2′-hydroxy-4′-alkyloxyazobenzenes
Pajak, J
Rospenk, M
Glowiak, T
Sobczyk, L
CHEMICAL PHYSICS, 2001, 274 (01) : 15 - 21
[50] Synthesis, X-ray structure and spectroscopic studies of Mo(O)2(3,5-di-tert-Busap)(EtOH)
Jerzykiewicz, LB
Sobczak, JM
Ziólkowski, JJ
JOURNAL OF CHEMICAL RESEARCH-S, 2000, (09): : 423 - 425

← 1 2 3 4 5 →