AM1 treatment of monogermacyclacenes

Date

1998-03-01

Author

Türker, Burhan Lemi

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Semi-empirical molecular orbital treatment of monogermacyclacenes of two different types has been performed at the level of AM1 type calculations. The effect of germanium substitution is found to be moderately destabilizing but it becomes less pronounced in larger systems. The heats of Formation values of these classes of structures are endothermic and exhibit cryptoannulenic effect. Also some physicochemical properties of monogermacyclacenes have been estimated.

Subject Keywords

Bond, Aromaticity, Corannulenes, Carbon, Cyclacenes, Force-Field, Cryptoannulenic behavior

URI

https://hdl.handle.net/11511/62347

Journal

INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY

Collections

Department of Chemistry, Article

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AM1 treatment of phenolsulfonephthalein Türker, Burhan Lemi (2000-01-01) Different forms of phenolsulfonephthalein (phenol red) were subjected to semiempirical molecular orbital treatment at the level of AM1-RHF type calculations. All the forms considered were found to be stable and exogenic. However. most of the molecular orbital characteristics of these structures are highly different from each other.
AM1 treatment of silacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1997-01-01) Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on Huckel type silacyclacenes having arenoid rings (R) of 2-9. The first and second type cryptoannulenic effects are defined.

Citation Formats

B. L. Türker, “AM1 treatment of monogermacyclacenes,” INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, pp. 230–234, 1998, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62347.