A COMPUTATIONAL STUDY ON SOME SELENIUM-CONTAINING NAPHTHALENE DERIVATIVES

Date

2009-01-01

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

258
views

0
downloads

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.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/56836

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406630903454844

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

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...
A facile synthesis of various butenolides Tanyeli, Cihangir (Informa UK Limited, 2000-01-01) The synthesis of alpha'-acyloxy-alpha,beta-unsaturated cyclic ketones from the corresponding alpha,beta-unsaturated cyclic ketones by using manganese (III) acetate in combination with 2-chloropropionic acid followed by subsequent Arbuzov and intramolecular Horner-Emmons cyclization reactions provided a convenient synthetic pathway to various butenolides 4a-d.
Unusual alternation of HMO bond orders in cyclacenes Türker, Burhan Lemi (Informa UK Limited, 1996-01-01) 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.
A MECHANISTIC STUDY ON THE POLYMERIZATION OF N-BUTYL ISOCYANATE BY PRUITT-BAGGETT ADDUCT YILMAZ, O; Usanmaz, Ali; ALYURUK, K (Elsevier BV, 1992-11-01) The mechanism of the polymerization of n-butyl isocyanate by the Pruitt-Baggett adduct (PBA) was studied; on the basis of the experimental evidences, a coordinated mechanism was proposed and verified. This mechanism considers a monatomic active site, which is the Fe atom of PBA with Lewis acid character. The N atom of the isocyanate monomer is coordinated by the Fe atom and the resultant positive charge is transmitted to another N atom which covalently binds the growing chain to the active centre. Thus the ...
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.

Citation Formats

B. L. Türker, “A COMPUTATIONAL STUDY ON SOME SELENIUM-CONTAINING NAPHTHALENE DERIVATIVES,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 315–332, 2009, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56836.