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

2000-01-01
Türker, Burhan Lemi
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.
TURKISH JOURNAL OF CHEMISTRY

Suggestions

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 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 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.
The electronic band structure of III (in, al, ga)-v (n, as, sb) compounds and ternary alloys
Mohammad, Rezek Mahmoud Salim; Katırcıoğlu, Şenay; Department of Physics (2005)
In this work, the electronic band structure of III (In, Al, Ga) - V (N, As, Sb) compounds and their ternary alloys have been investigated by density functional theory (DFT) within generalized gradient approximation (GGA) and empirical tight binding (ETB) calculations, respectively. The present DFT-GGA calculations have shown direct band gap structures in zinc-blende phase for InN, InAs, InSb, GaN, and GaAs. However, indirect band gap structures have been obtained for cubic AlN, AlSb and AlAs com- pounds; he...
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.
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.