The effect of peripheral circuits on the total pi-electron energies of cyclacenes

Date

2000-01-01

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

203
views

0
downloads

Within the framework of the Huckel molecular orbital theory, certain linear models are developed to express the contribution of peripheral circuits of cyclacenes into their total pi -electron energies, which explain why cyclacenes exhibit the cryptoannulenic behavior as their peripheral circuits which are annulenic in character.

Subject Keywords

Belts, Am1 treatment, Huckel, Aromaticity, Cryptoannulenic behavior corannulenes

URI

https://hdl.handle.net/11511/62363

Journal

TURKISH JOURNAL OF CHEMISTRY

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

The effect of substitutional impurities on the evolution of FeAl diffusion layer Akdeniz, Mahmut Vedat; Mehrabov, Amdulla (Elsevier BV, 1998-2-13) The formation and growth characteristics of Fe based aluminide diffusion layers at the Fe-Al interface have been analysed in terms of interfacial interaction potentials based on the statistico-thermodynamical theory of multicomponent alloys combined with electronic theory in the pseudopotential approximation. The pairwise interatomic interaction potentials and partial ordering energies have been calculated to predict the effect of various alloying additions on the activity coefficient of Al atoms in α-Fe0.9...
The spin effects on electronic, optical and mechanical properties of new ferromagnetic chalcopyrite: YMnS2 Yıldız, Buğra; Erkisi, Aytac; Sürücü, Gökhan (2022-05-15) In this study, magnetic and electronic nature, optical behavior, and elasticity properties of YMnS2 compound have been investigated by using density functional theory (DFT). The compound belongs to the chalcopyrite family having tetragonal crystal structure with 122 (I-42d) space group. Firstly, the optimization process has been done for ferromagnetic, antiferromagnetic, and paramagnetic orders to find most stable magnetic order and the formation energies have been determined. Negative formation energies pr...
The Important Role of N(2)(CH3)(4) Ion in the Phase-Transition Mechanism of [N(CH3)(4)](2)ZnBr4 Kiraci, Ali (Institute of Electrical and Electronics Engineers (IEEE), 2020-05-01) The chemical shift of the N(2)(CH3)(4) ion, which has been found to exhibit the similar anomalous behavior of the monoclinic angle $\Delta \beta $ , was related to the order parameter to evaluate the temperature dependence of the linewidth (damping constant) for N-14 nuclear magnetic resonance spectrum of this crystal in terms of the dynamic Ising models, namely the pseudospin-phonon-coupled (PS) and the energy fluctuation (EF) models. The results from both PS and EF models were successful to explain the ab...
The effect of para-cyclophane structure on cyclacenes Türker, Burhan Lemi (2000-02-01) Semiempirical molecular orbital treatment at the level of AMI type has been performed on the Huckel type cyclacenes having the normal and the skew type para-cyclophane moiety embedded into their structures. The cyclophane effect is found to be operative on the lower members by veiling the cryptoannulenic effect which is influential on the heats of formation values and the frontier molecular orbital energies of the higher members as well as the parent cyclacenes.
The effects of lepton KK modes on the electric dipole moments of the leptons in the Randall-Sundrum scenario Iltan, E. O. (Springer Science and Business Media LLC, 2008-04-01) We study the charged lepton electric dipole moments in the Randall-Sundrum model where the leptons and the gauge fields are accessible to the extra dimension. We observe that the electric dipole moment of the electron (muon; tau) reaches a value of the order of 10(-26) ecm (10(-20) ecm; 10(-20) ecm) with the inclusion of the lepton KK modes.

Citation Formats

B. L. Türker, “The effect of peripheral circuits on the total pi-electron energies of cyclacenes,” TURKISH JOURNAL OF CHEMISTRY, pp. 217–222, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62363.