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- Title
Metal carbonyl complexes of potentially ambidentate 2,1,3-benzothiadiazole and 2,1,3-benzoselenadiazole acceptors.
- Authors
Plebst, Sebastian; Bubrin, Martina; Schweinfurth, David; Záliš, Stanislav; Wolfgang Kaim
- Abstract
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.
- Subjects
METAL carbonyls; CRYSTAL structure; DENSITY functional theory; BINDING sites; ELECTRON transport
- Publication
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2017, Vol 72, Issue 11, p839
- ISSN
0932-0776
- Publication type
Article
- DOI
10.1515/znb-2017-0100