Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding

Guillermo Mínguez Espallargas; Jacco van de Streek; Philippe Fernandes; Alastair J Florence; Michela Brunelli; Kenneth Shankland; Lee Brammer

doi:10.1002/anie.201003265

Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding

Guillermo Mínguez Espallargas, Jacco van de Streek, Philippe Fernandes, Alastair J Florence, Michela Brunelli, Kenneth Shankland, Lee Brammer

Strathclyde Institute Of Pharmacy And Biomedical Sciences

Research output: Contribution to journal › Article › peer-review

60 Citations (Scopus)

Abstract

Hydrogen bonding leads the way: Reaction of nonporous crystalline coordination compound 1 with HCl gas results in conversion into the crystalline salt 2 (see picture) following chemisorption and insertion of HCl into CuN bonds. Powder diffraction studies show that [CuBr2Cl2]2− ions formed in 2 are reoriented to maximize the strength of hydrogen bonds and halogen bonds by preferentially involving Cl rather than Br ligands as acceptor sites.

Original language	English
Pages (from-to)	8892-8896
Number of pages	5
Journal	Angewandte Chemie International Edition
Volume	49
Issue number	47
DOIs	https://doi.org/10.1002/anie.201003265
Publication status	Published - 15 Nov 2010

Keywords

coordination complexes
copper
crystallization
gases
hydrogen bonding
pyridines

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10.1002/anie.201003265

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)
Murphy, J. (Principal Investigator), Coombs, G. (Co-investigator), Ferguson, A. (Co-investigator) & Florence, A. (Co-investigator)
Scottish Funding Council SFC, EPSRC (Engineering and Physical Sciences Research Council)
1/09/07 → 30/10/12
Project: Research

Cite this

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title = "Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding",

abstract = "Hydrogen bonding leads the way: Reaction of nonporous crystalline coordination compound 1 with HCl gas results in conversion into the crystalline salt 2 (see picture) following chemisorption and insertion of HCl into CuN bonds. Powder diffraction studies show that [CuBr2Cl2]2− ions formed in 2 are reoriented to maximize the strength of hydrogen bonds and halogen bonds by preferentially involving Cl rather than Br ligands as acceptor sites.",

keywords = "coordination complexes, copper, crystallization, gases, hydrogen bonding, pyridines",

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AU - Mínguez Espallargas, Guillermo

AU - van de Streek, Jacco

AU - Fernandes, Philippe

AU - Florence, Alastair J

AU - Brunelli, Michela

AU - Shankland, Kenneth

AU - Brammer, Lee

PY - 2010/11/15

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N2 - Hydrogen bonding leads the way: Reaction of nonporous crystalline coordination compound 1 with HCl gas results in conversion into the crystalline salt 2 (see picture) following chemisorption and insertion of HCl into CuN bonds. Powder diffraction studies show that [CuBr2Cl2]2− ions formed in 2 are reoriented to maximize the strength of hydrogen bonds and halogen bonds by preferentially involving Cl rather than Br ligands as acceptor sites.

AB - Hydrogen bonding leads the way: Reaction of nonporous crystalline coordination compound 1 with HCl gas results in conversion into the crystalline salt 2 (see picture) following chemisorption and insertion of HCl into CuN bonds. Powder diffraction studies show that [CuBr2Cl2]2− ions formed in 2 are reoriented to maximize the strength of hydrogen bonds and halogen bonds by preferentially involving Cl rather than Br ligands as acceptor sites.

KW - coordination complexes

KW - copper

KW - crystallization

KW - gases

KW - hydrogen bonding

KW - pyridines

U2 - 10.1002/anie.201003265

DO - 10.1002/anie.201003265

M3 - Article

C2 - 20939028

SN - 1521-3773

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JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 47

ER -

Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding

Abstract

Keywords

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Projects

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

Cite this