Formation of T-Shaped versus Charge-Transfer Molecular Adducts in the Reactions Between Bis(thiocarbonyl) Donors and Br2and I2

MANCINI, Annalisa, ARAGONI, M. Carla, BRICKLEBANK, Neil, CASTELLANO, Carlo, DEMARTIN, Francesco, ISAIA, Francesco, LIPPOLIS, Vito, PINTUS, Anna and ARCA, Massimiliano (2013). Formation of T-Shaped versus Charge-Transfer Molecular Adducts in the Reactions Between Bis(thiocarbonyl) Donors and Br2and I2. Chemistry : An Asian Journal, 8 (3), 639-647.

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Abstract

The reactions of 4,5,6,7-tetrathiocino-[1,2-b:3,4-b']-1,3,8,10-tetrasubstituted-diimidazolyl-2,9-dithiones (R(2),R'(2)-todit; 1: R=R'=Et; 2: R=R'=Ph; 3: R=Et, R'=Ph) with Br(2) exclusively afforded 1:1 and 1:2 "T-shaped" adducts, as established by FT-Raman spectroscopy and single-crystal X-ray diffraction in the case of complex 1·2Br(2). On the other hand, the reactions of compounds 1-3 with molecular I(2) provided charge-transfer (CT) "spoke" adducts, among which the solvated species 3·2I(2)·(1-x)I(2)·xCH(2)Cl(2) (x=0.94) and (3)(2)·7I(2)·xCH(2)Cl(2), (x=0.66) were structurally characterized. The nature of all of the reaction products was elucidated based on elemental analysis and FT-Raman spectroscopy and supported by theoretical calculations at the DFT level.

Item Type:	Article
Research Institute, Centre or Group - Does NOT include content added after October 2018:	Biomedical Research Centre
Identification Number:	https://doi.org/10.1002/asia.201201043
Page Range:	639-647
Depositing User:	Users 3084 not found.
Date Deposited:	10 May 2013 08:11
Last Modified:	18 Mar 2021 19:45
URI:	https://shura.shu.ac.uk/id/eprint/6994

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