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Halide‐Anion Water Clusters in Cucurbit[6]uril Supramolecular Systems
Author(s) -
Li Bo,
Li Xin,
Sun Xuzhuo,
Wang Ning
Publication year - 2016
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201600384
Subject(s) - chemistry , halide , supramolecular chemistry , salt (chemistry) , electronegativity , ion , crystallography , molecule , inorganic chemistry , computational chemistry , crystal structure , organic chemistry
Three types of dihalide water clusters [X 2 (H 2 O) 8 ] 2− (X=Cl, Br) and [I 2 (H 2 O) 10 ] 2− have been observed in cucurbit[6]uril supramolecular systems with same guest. According to the single crystal data and the quantitative theory computation, with the increase of electronegativity of halide ions, dihalide water clusters become more stable. A further comparison of three kinds of guests with different molecule length but the same anions, [ p ‐phenylenediamine salt, hexamethylenediamine salt and N,N′ ‐hexamethylenebis(pyrazinylbromide)], gives the result that the dihalide water clusters collapse from 2D to 1D with the increase of the lengths.