One-Dimensional Polymers Based on [{CpMo(CO)2}2(,2-P2)]: Solid-State Conformation Analysis by NMR Spectroscopy and DFT Calculations

Scheer, Manfred ; Gregoriades, Laurence John ; Bai, Junfeng ; Sierka, Marek ; Brunklaus, Gunther ; Eckert, Hellmut

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Date of publication of this fulltext: 14 Jun 2010 12:06

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Details

Item type:	Article
Journal or Publication Title:	Chemistry - A European Journal
Publisher:	John Wiley & Sons
Volume:	11
Number of Issue or Book Chapter:	7
Page Range:	pp. 2163-2169
Date:	15 February 2005
Institutions:	Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Manfred Scheer
Identification Number:	Value Type 10.1002/chem.200401117 DOI
Keywords:	density functional calculations; molybdenum; NMR spectroscopy; phosphorus; polymers; solid-state structures
Dewey Decimal Classification:	500 Science > 540 Chemistry & allied sciences
Status:	Published
Refereed:	Unknown
Created at the University of Regensburg:	Unknown
Item ID:	15220

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Abstract

Reaction of the complex [{CpMo(CO)2}2(,2-P2)] (1) with CuI halides leads to the quantitative formation of the novel one-dimensional linear polymers [CuX{Cp2Mo2(CO)4(,2:1:1-P2)}] (X=Cl (4), Br (5), I (6)). The same products 4 and 5 were obtained when 1 was treated with CuCl2 and CuBr2, respectively. The solid-state structures are compared and their remarkable influence on the respective 31P magic ...

Abstract

Reaction of the complex [{CpMo(CO)2}2(,2-P2)] (1) with CuI halides leads to the quantitative formation of the novel one-dimensional linear polymers [CuX{Cp2Mo2(CO)4(,2:1:1-P2)}] (X=Cl (4), Br (5), I (6)). The same products 4 and 5 were obtained when 1 was treated with CuCl2 and CuBr2, respectively. The solid-state structures are compared and their remarkable influence on the respective 31P magic angle spinning (MAS) NMR spectra is interpreted with the help of density functional theory (DFT) calculations on the model compounds [{(CuX)2{Cp2Cr2(CO)4(,2:1:1-P2)}2}3] (X=Cl (4 a), Br (5 a)) in which the molybdenum atoms are replaced by their lighter homologue chromium.

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Metadata last modified: 03 Jun 2018 16:02

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