中文摘要：

dihalide 的三种类型浇簇[X ₂(H₂ O )₈]²⁻(X=Cl， Br ) 并且[我 ₂(H₂ O )₁₀]²⁻ 在葫芦被观察了[6 ] uril 有一样的客人的超分子的系统。根据单个水晶数据和量的理论计算，随卤化物离子的 electronegativity 的增加， dihalide 水簇变得更稳定。有不同分子长度的三种客人的进一步的比较但是一样的阴离子，[p-phenylenediamine 盐， hexamethylenediamine 盐和 N， N′-hexamethylenebis (pyrazinylbromide )] ，给 dihalide 水簇随长度的增加从 2D 折叠到 1D 的结果。

英文摘要：

Three types of dihalide water clusters [X2（H20）8]2 （X=Cl, Br） and [I2（H20）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.