Mokrai, Réka, Barrett, Jamie, Apperley, David C., Zoltán, Benkő and Heift, Dominikus (2020) Tweaking the charge transfer : bonding analysis of Bismuth(III) complexes with a flexidentate phosphane ligand. Inorganic Chemistry, 59(13), pp. 8916-8924. ISSN (print) 0020-1669
Abstract
To account for the charge transfer and covalent character in bonding between P and Bi centers, the electronic structures of [P(C6H4-o-CH2SCH3)3BiCln](3–n)+ (n = 0–3) model species have been investigated computationally. On the basis of this survey a synthetic target compound with a dative P→Bi bond has been selected. Consecutively, the highly reactive bismuth cage [P(C6H4-o-CH2SCH3)3Bi]3+ has been accessed experimentally and characterized. Importantly, our experiments (single-crystal X-ray diffraction and solid-state NMR spectroscopy) and computations (NBO and AIM analysis) reveal that the P···Bi bonding in this trication can be described as a dative bond. Here we have shown that our accordion-like molecular framework allows for tuning of the interaction between P and Bi centers.
Actions (Repository Editors)
 |
Item Control Page |