Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
On the cryptoannulenic behavior of certain corannulenes
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
208
views
0
downloads
Cite This
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.
Subject Keywords
Organic Chemistry
,
Materials Chemistry
,
Polymers and Plastics
URI
https://hdl.handle.net/11511/62307
Journal
POLYCYCLIC AROMATIC COMPOUNDS
DOI
https://doi.org/10.1080/10406639608048347
Collections
Department of Chemistry, Article
Suggestions
OpenMETU
Core
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.
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...
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.
Molecular orbital treatment of some endohedrally doped C-60 systems
Türker, Burhan Lemi; Gumus, S (Informa UK Limited, 2006-03-01)
The present review article is a collection of the theoretical studies about some endohedrally doped C-60 systems, based on density functional theory and ab initio calculations. The energies of the composite system, as well as molecular orbital energies depend on the type of dopant, symmetry of the system and the spin state. In the case of C@ C-60, the dopant interacts with the cage depending on the symmetry and spin state, whereas in Be@ C-60, Be is found to be unbound. In certain cases ( as Ca, Sc and Y) t...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
B. L. Türker, “On the cryptoannulenic behavior of certain corannulenes,”
POLYCYCLIC AROMATIC COMPOUNDS
, pp. 207–210, 1996, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62307.