The structures of two polymorphs of isotactic 1,4-cis-poly(2-methyl-1,3-pentadiene) are investigated through a computational procedure that simultaneously minimizes the conformational and the packing energy of a microcrystal of suitable dimensions. The results are compared with diffractometric data, and in both cases reliable structures are obtained by properly combining the indications coming from crystallographic analysis and energy calculations.
STRUCTURE OF THE ALPHA AND BETA POLYMORPHS OF ISOTACTIC 1,4-CIS-POLY(2-METHYL-1,3-PENTADIENE)
MEILLE, STEFANO VALDO;
1991-01-01
Abstract
The structures of two polymorphs of isotactic 1,4-cis-poly(2-methyl-1,3-pentadiene) are investigated through a computational procedure that simultaneously minimizes the conformational and the packing energy of a microcrystal of suitable dimensions. The results are compared with diffractometric data, and in both cases reliable structures are obtained by properly combining the indications coming from crystallographic analysis and energy calculations.File in questo prodotto:
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