Citation: Fu Jiang DING, Liang Fu ZHANG. A THEORETICAL INVESTIGATION ON THE STRUCTURE OF THREE-DIMENSIONAL MESOGEN[J]. Chinese Chemical Letters, ;1996, 7(7): 665-668. shu

A THEORETICAL INVESTIGATION ON THE STRUCTURE OF THREE-DIMENSIONAL MESOGEN

Chengdu Institute of Organic Chemistry, Acadamia Sinica, Chengdu 610041

Received Date: 6 October 1995

Fund Project: This project was supported by the National Natural Science Foundation of China.

In order to investigate the relation between molecular structure and liquid crystal properties, structural studies were carried out on three-dimensional mesogen tetrasubstituted tribenzosilatrane using PM3 semiempirical calculations. The results show that the corresponding terminal cyano group compound (alkyl R² replaced by CN) has much bigger dipole moment and much better similar to sphere than alkyl compounds. Cyano compound is probably a better candidate for sphere-like mesogen.
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