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

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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. [Article]

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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.

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Official URL:

http://dx.doi.org/10.1002/asia.201201043

Research Institute, Centre or Group - Does NOT include content added after October 2018:

Biomedical Research Centre

Page Range:

639-647

Identifiers

Identification Number:

10.1002/asia.201201043

ORCID for Neil Bricklebank: