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

Mínguez Espallargas, Guillermo and van de Streek, Jacco and Fernandes, Philippe and Florence, Alastair J and Brunelli, Michela and Shankland, Kenneth and Brammer, Lee (2010) Mechanistic insights into a gas-solid reaction in molecular crystals : the role of hydrogen bonding. Angewandte Chemie International Edition, 49 (47). pp. 8892-8896.

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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.

ORCID iDs

Mínguez Espallargas, Guillermo, van de Streek, Jacco, Fernandes, Philippe, Florence, Alastair J ORCID logoORCID: https://orcid.org/0000-0002-9706-8364, Brunelli, Michela, Shankland, Kenneth and Brammer, Lee;