Structure of a Discrete Dichloride Hexahydrate Cube as a Tris(diisopropylamino)cyclopropenium Salt | Zendy

Butchard James R. | Zendy; Curnow Owen J. | Zendy; Garrett David J. | Zendy; Maclagan Robert G. A. R. | Zendy

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Structure of a Discrete Dichloride Hexahydrate Cube as a Tris(diisopropylamino)cyclopropenium Salt

Author(s) -

Butchard James R.,

Curnow Owen J.,

Garrett David J.,

Maclagan Robert G. A. R.

Publication year - 2006

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200603547

Subject(s) - chemistry , salt (chemistry) , hydrogen bond , clathrate hydrate , hydrate , cluster (spacecraft) , cube (algebra) , tris , crystallography , chloride , solid state , crystal structure , molecule , organic chemistry , biochemistry , mathematics , combinatorics , computer science , programming language

Overcoming repulsion : Two chloride anions are glued together by six Cl⋅⋅⋅HO hydrogen bonds in the stable dichloride hydrate cube [Cl 2 (H 2 O) 6 ] 2− . The solid‐state structure of the cluster determined by X‐ray diffraction of its salt (see picture; Cl green, O red, H white) is consistent with the gas‐phase structures calculated at two levels of theory.

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