Mokrai, Réka, Barrett, Jamie, Apperley, David C., Batsanov, Andrei S., Benkő, Zoltán and Heift, Dominikus (2019) Weak pnictogen bond with bismuth : experimental evidence based on Bi-P through-space coupling. Chemistry - A European Journal, 25(16), pp. 4017-4024. ISSN (print) 0947-6539
Abstract
To study pnictogen bonding involving bismuth, flexible accordion‐like molecular complexes of the composition [P(C6H4‐o‐CH2SCH3)3BiX3], (X=Cl, Br, I) have been synthesised and characterised. The strength of the weak and mainly electrostatic interaction between the Bi and P centres strongly depends on the character of the halogen substituent on bismuth, which is confirmed by single‐crystal X‐ray diffraction analyses, DFT and ab initio computations. Significantly, 209Bi–31P through‐space coupling (J=2560 Hz) is observed in solid‐state 31P NMR spectra, which is so far unprecedented in the literature, delivering direct information on the magnitude of this pnictogen interaction.
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