Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas

G. M. Espallargas, A. J. Florence, J. van de Streek, L. Brammer

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 (3-Brpy = 3-bromopyridine) with HBr (aq) vapour yields brown crystalline salt (3-BrpyH)2[CuBr4] 2 with quantitative conversion. Notably 2 adopts a different crystal structure to the three mutually isostructural compounds (3-XpyH)2[CuCl4] (X = Cl, Br) and (3-BrpyH)2[CuBr2Cl2] which result from reaction with HCl. Crystalline product 2 has been characterised by X-ray powder diffraction and its conversion back to 1 at 370–400 K has been followed in situ by synchrotron X-ray powder diffraction. Crystalline 1 and 2 are further notable for the presence of intermolecular C–BrBr–Cu halogen bonds and (only in the case of 2) N–HBr–Cu hydrogen bonds.
LanguageEnglish
Pages4400-4404
Number of pages5
JournalCrystEngComm
Issue number13
DOIs
Publication statusPublished - 2011

Fingerprint

Gases
Crystalline materials
Crystals
diffraction
gases
halogens
X ray powder diffraction
crystals
synchrotrons
x rays
vapors
hydrogen bonds
salts
crystal structure
Halogens
products
Synchrotrons
Hydrogen bonds
Salts
Crystal structure

Keywords

  • hydrogen bonds
  • intermolecular interactions
  • halogen bond formation
  • M-X
  • coordination polymers
  • salts
  • powder diffraction data

Cite this

Espallargas, G. M. ; Florence, A. J. ; van de Streek, J. ; Brammer, L. / Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas. In: CrystEngComm. 2011 ; No. 13. pp. 4400-4404.
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abstract = "Reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 (3-Brpy = 3-bromopyridine) with HBr (aq) vapour yields brown crystalline salt (3-BrpyH)2[CuBr4] 2 with quantitative conversion. Notably 2 adopts a different crystal structure to the three mutually isostructural compounds (3-XpyH)2[CuCl4] (X = Cl, Br) and (3-BrpyH)2[CuBr2Cl2] which result from reaction with HCl. Crystalline product 2 has been characterised by X-ray powder diffraction and its conversion back to 1 at 370–400 K has been followed in situ by synchrotron X-ray powder diffraction. Crystalline 1 and 2 are further notable for the presence of intermolecular C–BrBr–Cu halogen bonds and (only in the case of 2) N–HBr–Cu hydrogen bonds.",
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Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas. / Espallargas, G. M.; Florence, A. J.; van de Streek, J.; Brammer, L.

In: CrystEngComm, No. 13, 2011, p. 4400-4404.

Research output: Contribution to journalArticle

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T1 - Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas

AU - Espallargas, G. M.

AU - Florence, A. J.

AU - van de Streek, J.

AU - Brammer, L.

PY - 2011

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