Experimental and theoretical study of the interaction of molybdenocene dichloride (Cp2MOCl2) with β-cyclodextrin

被引：36

作者：

Braga, SS

Gonçalves, IS

Pillinger, M

Ribeiro-Claro, P

Teixeira-Dias, JJC

机构：

[1] Univ Aveiro, Dept Chem, P-3810193 Aveiro, Portugal

[2] Univ Coimbra, Fac Ciencias & Tecnol, P-3004353 Coimbra, Portugal

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2001年 / 632卷 / 1-2期

关键词：

cyclodextrins; molybdenum; molybdenocene; host-guest chemistry; solid-state structures;

D O I：

10.1016/S0022-328X(01)00836-1

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A crystalline 1:1 inclusion complex was isolated from the reaction of beta -cyclodextrin (beta -CD) with aqueous Cp2MoCl2. The existence of a true inclusion complex in the solid-state was confirmed by a combination of powder X-ray diffraction (XRD), thermogravimetric analysis (TGA), FTIR and Raman spectroscopy, and magic-angle spinning (MAS) C-13 NMR spectroscopy. Ab initio calculations were carried out to generate the possible inclusion geometries and calculate the vibrational frequencies for Cp2MoCl2 in the 100-400 cm(-1) region. The best organometallic-beta -CD interaction geometry was found to be one with one Cp ligand inside the host cavity. The vibrational spectra support the existence of this structure and in addition confirm that the organometallic is included with the Mo-Cl bond intact. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

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页码：11 / 16

页数：6

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