Weak pnictogen bond with bismuth: experimental evidence based on Bi-P through-space coupling.

Réka Mokrai; Jamie Barrett; David C. Apperley; Andrei S. Batsanov; Zoltán Benkő; Dominikus Heift

doi:10.1002/chem.201900266

Weak pnictogen bond with bismuth: experimental evidence based on Bi-P through-space coupling.

Réka Mokrai, Jamie Barrett, David C. Apperley, Andrei S. Batsanov, Zoltán Benkő, Dominikus Heift

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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.

Original language	English
Pages (from-to)	4017-4024
Journal	Chemistry - A European Journal
Volume	25
Issue number	16
Early online date	24 Jan 2019
DOIs	https://doi.org/10.1002/chem.201900266
Publication status	Published - 15 Mar 2019

Bibliographical note

Note: This work was supported by Durham University [Grant Number: 609412] and Nemzeti Kutatási, Fejlesztési és Innovációs Hivatal [Grant Number: PD 116329].

Keywords

Chemistry

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Heift-D-47200-VoRFinal published version, 1.71 MBLicence: CC BY-NC-ND

https://doi.org/10.1002/chem.201900266

Cite this

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title = "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(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.",

keywords = "Chemistry",

author = "R{\'e}ka Mokrai and Jamie Barrett and Apperley, \{David C.\} and Batsanov, \{Andrei S.\} and Zolt{\'a}n Benk{\H o} and Dominikus Heift",

note = "Note: This work was supported by Durham University [Grant Number: 609412] and Nemzeti Kutat{\'a}si, Fejleszt{\'e}si {\'e}s Innov{\'a}ci{\'o}s Hivatal [Grant Number: PD 116329].",

year = "2019",

month = mar,

day = "15",

doi = "10.1002/chem.201900266",

language = "English",

volume = "25",

pages = "4017--4024",

journal = "Chemistry - A European Journal",

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TY - JOUR

T1 - Weak pnictogen bond with bismuth

T2 - experimental evidence based on Bi-P through-space coupling.

AU - Mokrai, Réka

AU - Barrett, Jamie

AU - Apperley, David C.

AU - Batsanov, Andrei S.

AU - Benkő, Zoltán

AU - Heift, Dominikus

N1 - Note: This work was supported by Durham University [Grant Number: 609412] and Nemzeti Kutatási, Fejlesztési és Innovációs Hivatal [Grant Number: PD 116329].

PY - 2019/3/15

Y1 - 2019/3/15

N2 - 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.

AB - 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.

KW - Chemistry

U2 - 10.1002/chem.201900266

DO - 10.1002/chem.201900266

M3 - Article

SN - 0947-6539

VL - 25

SP - 4017

EP - 4024

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 16

ER -

Weak pnictogen bond with bismuth: experimental evidence based on Bi-P through-space coupling.

Abstract

Bibliographical note

Keywords

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