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 (2012). 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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Official URL: http://dx.doi.org/10.1002/asia.201201043
Link to published version:: 10.1002/asia.201201043

Abstract

The reactions of 4,5,6,7-tetrathiocino-[1,2-b:3,4-b’]-1,3,8,10-tetrasubstituted-diimidazolyl-2,9-dithiones (R2,R’2-todit; 1: R=R’=Et; 2: R=R’=Ph; 3: R=Et, R’=Ph) with Br2 exclusively afforded 1:1 and 1:2 “Tshaped” adducts, as established by FTRaman spectroscopy and single-crystal X-ray diffraction in the case of complex 1·2Br2. On the other hand, the reactions of compounds 1–3 with molecular I2 provided charge-transfer (CT)“spoke” adducts, among which the solvated species 3·2I2·ACHTUNGTRENUNG(1�x)I2·xCH2Cl2 (x=0.94) and (3)2·7I2·xCH2Cl2, (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: Biomolecular Sciences Research Centre
Identification Number: 10.1002/asia.201201043
Depositing User: Helen Garner
Date Deposited: 30 Apr 2013 13:15
Last Modified: 30 Apr 2013 13:15
URI: http://shura.shu.ac.uk/id/eprint/6984

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