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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.