AM1 treatment of cyclophanes with vinylic bridges

Date

1999-01-01

Author

Türker, Burhan Lemi

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

167
views

0
downloads

Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on the cyclophanes having vinylic bridges. The Hamiltonicity of the cyclophanes is introduced. It has been found that within the isomeric set of these endothermic compounds, the least and the most endothermic ones are Hamiltonian and nonHamiltonian, respectively.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/62338

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406639908020540

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

AM1 treatment of monosilacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1997-01-01) 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.
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.
Poly(ethylene terephthalate)/Carbon Nanotube Composites Prepared With Chemically Treated Carbon Nanotubes Yesil, Sertan; Bayram, Göknur (Wiley, 2011-07-01) Surfaces of multiwalled carbon nanotubes (CNT) were functionalized by treatment with strong acid mixture (purification) followed by modification with sodium dodecyl sulfate, poly(ethylene glycol) (PEG), and diglycidyl ether of Bisphenol A (DGEBA). Poly(ethylene terephthalate) (PET)-based conductive polymer composites were prepared by using these CNT by means of melt mixing with a twin screw extruder. Amount of carboxylic acid groups on the CNT surface increased after acid treatment but decreased with surfac...
On the possibility of Si-60 structure - An AM1 treatment Türker, Burhan Lemi (Informa UK Limited, 1999-01-01) A semiempirical treatment at the level of AMI type calculations has been carried out for Si-60 structure and compared with C-60 It has been found that Si-60 is more endothermic and thus less stable. Moreover, silicon substitutional doping on the periphery of hexagonal rings is more destabilizing than the I:ase involving periphery of the pentagonal rings in the structure of C-60.
AM1 treatment of some dinitro derivatives of [2(2)](1,4)-cyclophane Türker, Burhan Lemi (Elsevier BV, 2004-07-05) Semiempirical molecular orbital treatment at the level of AMI(RHF) approach has been performed on [2(2)](1,4)-cyclophanes (paracyclophane derivatives) having two nitro substituents at different positions (the bridge positions and phane-deck(s)). All the isomeric structures presently studied are found to be stable but endothermic.

Citation Formats

B. L. Türker, “AM1 treatment of cyclophanes with vinylic bridges,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 25–31, 1999, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62338.