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Weak Pnictogen Bond with Bismuth: Experimental Evidence Based on Bi-P Through-Space Coupling.

ABSTRACT: To study pnictogen bonding involving bismuth, flexible accordion-like molecular complexes of the composition [P(C₆ H₄ -o-CH₂ SCH₃ )₃ BiX₃ ], (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, ²⁰⁹ Bi-³¹ P through-space coupling (J=2560?Hz) is observed in solid-state ³¹ P?NMR spectra, which is so far unprecedented in the literature, delivering direct information on the magnitude of this pnictogen interaction.

SUBMITTER: Mokrai R

PROVIDER: S-EPMC6593703 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature

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Weak Pnictogen Bond with Bismuth: Experimental Evidence Based on Bi-P Through-Space Coupling.

Mokrai Réka R Barrett Jamie J Apperley David C DC Batsanov Andrei S AS Benkő Zoltán Z Heift Dominikus D

Chemistry (Weinheim an der Bergstrasse, Germany) 20190225 16

To study pnictogen bonding involving bismuth, flexible accordion-like molecular complexes of the composition [P(C6 H4 -o-CH2 SCH3 )3 BiX3 ], (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 a ...[more]

PMID: 30680824

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