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Two-dimensional Hückel molecular orbital theory

✍ Scribed by S.J. Cyvin

Publisher
Elsevier Science
Year
1981
Tongue
French
Weight
197 KB
Volume
22
Category
Article
ISSN
0040-4039

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✦ Synopsis

The simple Hiickel molecular orbital theory is extended to include hydrocarbons with sp- hybridization in addition to the sp2-hybridization. Molecular orbitals are constructed as linear combinations of 2p orbitals in two dimensions perpendicular to each other. Total IT bond orders (P) are defined and cover the range up to P = 2 in the two-dimensional case. The relationship between bond orders and CC bond lengths is studied. The theory is applied to nine hydrocarbons, which include systems with conjugated and cumulated double lated bond lengths from the bond orders are found to agree values.

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One approach to adiabatic population tra
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To achieve the selective population transfer to the specific excited state of molecules, the delayed-pulse method developed in the three-level system is more attractive and effective than the ordinary -pulses method. However, two pulses in this adiabatic method are in a counterintuitive order and ar