Unusual alternation of HMO bond orders in cyclacenes

Date

1996-01-01

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

209
views

0
downloads

The alternation of pi-bond orders of cyclacenes has been investigated within the framework of Huckel molecular orbital theory (HMO). It has been found that, depending on the number of arenoid rings present the pi-bond orders and the lengths in laticyclic and longicyclic parts of the cyclacene structures vary in opposite manner.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/62359

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406639608048335

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

On the cryptoannulenic behavior of certain corannulenes Türker, Burhan Lemi (Informa UK Limited, 1996-01-01) Cryptoannulenic behavior of certain corannulenes is investigated within the Framework of Huckel molecular orbital theory. It has been found that the cryptoannulenic behavior of the corannulenes studied, generally arises from the type of their individual peripheral rings (4m or 4m + 2) but not from the type of the inner or outer periphery of the whole corannulene system.
A COMPUTATIONAL STUDY ON SOME SELENIUM-CONTAINING NAPHTHALENE DERIVATIVES Türker, Burhan Lemi (Informa UK Limited, 2009-01-01) A quantum chemical study, based on DFT theory is presented which considers certain selenium-containing naphthalene derivatives, including a keto group together with a Se atom embedded in either a five- or six-membered ring fused with naphthalene moiety. The corresponding enol structures also are considered. The quantum chemical and IR data collected are analyzed and NICS(0) values have been obtained.
Cryptoannulenic behavior of monoazacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1996-01-01) 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.
A new soluble conducting polymer and its electrochromic devices YİLDİZ, UMİT HAKAN; SAHİN, ELİF; Akhmedov, IM; Tanyeli, Cihangir; Toppare, Levent Kamil (Wiley, 2006-04-01) A new polythiophene derivative was synthesized by both chemical and electrochemical oxidative polymerization of 1-(1-phenylethyl)-2,5-di(2-thienyl)-1H-pyrrole (PETPy). Of which the chemical method produces a polymer that is completely soluble in organic solvents. The structures of both the monomer and the soluble polymer were elucidated by nuclear magnetic resonance (H-1 and C-13 NMR) and Fourier transform infrared (FTIR) spectroscopy. The average molecular weight has been determined by gel permeation chrom...
Understanding the influence of hydrogen bonding and diisocyanate symmetry on the morphology and properties of segmented polyurethanes and polyureas: Computational and experimental study Sami, Selim; Yıldırım, Erol; Yurtsever, Mine; Yurtsever, Ersin; Yilgor, Emel; Yilgor, Iskender; Wilkes, Garth L. (Elsevier BV, 2014-09-02) Quantum mechanical calculations (QMC) and dissipative particle dynamics (DPD) siniulations were utilized to understand the nature of the short and long-range hydrogen bonding and its influence on the microphase morphology in segmented polyurethanes and segmented polyureas prepared without chain extenders through the stoichiometric reactions of hydroxy or amine terminated poly(tetramethylene oxide) (PTMO-1000) with 1,4-phenylene diisocyanate (PPDI) and 1,3-phenylene diisocyanate (MPDI). The possibility of lo...

Citation Formats

B. L. Türker, “Unusual alternation of HMO bond orders in cyclacenes,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 67–71, 1996, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62359.