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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/100/13817

Title: Cyclodimerization of phenyliodoacetylene with elemental tellurium: New pathway to 1.3-ditellurofulvenes
Authors: TORUBAEV, Y
MATHUR, P
JHA, B
MOBIN, SM
SKABITSKY, IV
Keywords: EFFECTIVE CORE POTENTIALS
MOLECULAR CALCULATIONS
HEXAMETHYLENETETRATELLURAFULVALENE
CRYSTAL
TELLUROKETONE
DIMERIZATION
CHEMISTRY
METAL
Issue Date: 2011
Publisher: ELSEVIER SCIENCE SA
Citation: JOURNAL OF ORGANOMETALLIC CHEMISTRY,696(2)496-503
Abstract: Thermal reaction between PhC Cl and powdered Te afforded a mixture of (E)-4-iodo-2-(iodo(phenyl)-5-phenyl-1,3-ditellurofulvene (1) and (Z)-4-iodo-2-(iodo(phenyl)-5-phenyl-1-(diiodo),3-ditellurofulvene (2), which was subsequently reduced to (Z)-4-iodo-2-(iodo(pheny1)-5-phenyl-1,3-ditellurofulvene (3). Formation of 1 and 3 as the thermodynamically most stable products has been rationalized using density functional theory (DFT) calculations. Molecular structures of 1-3 were established crystallographically. In the solid state the coordination sphere of both tellurium atoms in 2 is extended by weak intermolecular Te center dot center dot center dot pi interactions with the solvate molecule of toluene which completes the pseudo-trigonal bipyramidal coordination geometry around each Te atom and assembles 2 into the chains along the crystallographic c-axis. (c) 2010 Elsevier B.V. All rights reserved.
URI: http://dx.doi.org/10.1016/j.jorganchem.2010.08.056
http://dspace.library.iitb.ac.in/jspui/handle/100/13817
ISSN: 0022-328X
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