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Cryptoannulenic behavior of monoazacyclacenes
Date
1996-01-01
Author
Türker, Burhan Lemi
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Within the framework of Huckel molecular orbital theory, it has been found that similar as cyclacenes monoazacyclacenes exhibit some cryptoannulenic behavior, and their angle of total pi-electron energies fluctuates within the series, depending on the size and type of the peripheral circuit (4m or 4m + 2 type). However, this effect in monoazacyclacenes is less pronounced as compared to cyclacenes.
Subject Keywords
Organic Chemistry
,
Materials Chemistry
,
Polymers and Plastics
URI
https://hdl.handle.net/11511/62345
Journal
POLYCYCLIC AROMATIC COMPOUNDS
DOI
https://doi.org/10.1080/10406639608048346
Collections
Department of Chemistry, Article
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Semi-empirical molecular orbital calculations at the level of AM1 type have been performed on Huckel type monosilacyclacenes having arenoid rings (R) of 2-7. Silicon atom at the peri and fusion points of arenoid rings were separately considered for each case of R.
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B. L. Türker, “Cryptoannulenic behavior of monoazacyclacenes,”
POLYCYCLIC AROMATIC COMPOUNDS
, pp. 203–206, 1996, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62345.