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EFFECT OF MOLECULAR SHAPES ON CRYSTAL BUILDING AND DYNAMIC BEHAVIOR IN THE SOLID-STATE - FROM CRYSTALLINE ARENES TO CRYSTALLINE METAL ARENE COMPLEXES
被引:42
作者:
BRAGA, D
[1
]
GREPIONI, F
[1
]
机构:
[1] UNIV BOLOGNA,DIPARTIMENTO CHIM G CIAMICIAN,VIA F SELMI 2,I-40126 BOLOGNA,ITALY
关键词:
D O I:
10.1021/om00054a013
中图分类号:
O61 [无机化学];
学科分类号:
070301 ;
081704 ;
摘要:
The molecular organization and dynamic behavior in crystals of C6H6 and C6Me6 and of the mononuclear complexes (C6H6)2Cr, (C6H6)Cr(CO)3, (C6Me6)Cr(CO)3, and (1,3,5-C6H3Me3)Mo(CO)3 are investigated by means of packing potential energy calculations and computer graphic analysis, showing that analogies and differences can be rationalized in terms of the shape of the molecules or constituent molecular fragments. Precise relationships are found not only between the crystal packings of these species but also between the shape of the arene fragments and the occurrence of dynamic behavior in the solid state.
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页码:2563 / 2569
页数:7
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