Metal carbonyl complexes of potentially ambidentate 2,1,3-benzothiadiazole and 2,1,3-benzoselenadiazole acceptors

0506623 - ÚFCH JH 2020 RIV DE eng J - Journal Article
Plebst, S. - Bubrin, M. - Schweinfurth, D. - Záliš, Stanislav - Kaim, W.
Metal carbonyl complexes of potentially ambidentate 2,1,3-benzothiadiazole and 2,1,3-benzoselenadiazole acceptors.
Zeitschrift fur Naturforschung. Section B: a Journal of Chemical Sciences. Roč. 72, č. 11 (2017), s. 839-846. ISSN 0932-0776. E-ISSN 1865-7117
Institutional support: RVO:61388955
Keywords : pentacarbonyl complexes * coordination chemistry * basis-sets * ligands * benzoselenadiazole * derivatives * benzothiadiazole * molecules * tungsten * donor
OECD category: Physical chemistry
Impact factor: 0.757, year: 2017
Method of publishing: Limited access

The compounds [W(CO)(5)(btd)], [W(CO)(5)(bsd] and [Re(CO)(3)(bpy)(bsd)](BF4), btd = 2,1,3-benzothiadiazole and bsd = 2,1,3-benzoselenadiazole were isolated and characterized experimentally (crystal structure, spectroscopy, spectroelectrochemistry) and by density functional theory calculations. The results confirm single N-coordination in all cases, binding to Se was calculated to be less favorable. Studies of one-electron reduced forms indicate that the N-coordination is maintained during electron transfer.
Permanent Link: http://hdl.handle.net/11104/0297834