An HMO study of additional sulphur heterocycles derived from non-alternant hydrocarbons

1965 ◽  
Vol 30 (9) ◽  
pp. 3016-3033 ◽  
Author(s):  
R. Zahradník ◽  
C. Párkányi
Keyword(s):  
Alternant Hydrocarbons

A free-electron theory of conjugated molecules

1953 ◽  
Vol 49 (4) ◽  
pp. 650-658 ◽  
Author(s):  
J. Stanley Griffith
Keyword(s):  
Free Electron ◽  
Wave Functions ◽  
Electron Charge ◽  
Algebraic Equations ◽  
Electron Wave ◽  
Electron Theory ◽  
Conjugated Molecules ◽  
Electron Charge Density ◽  
Linear Polyenes ◽  
Alternant Hydrocarbons

ABSTRACTThe values of a free-electron eigenfunotion at the carbon nuclei of a conjugated hydrocarbon are found to satisfy a system of algebraic equations. These equations are similar in form to those obtained in the method known as the linear combination of atomic orbitale but only coincide with them for linear polyenes and benzene. The symmetry, degeneracy and energy of the eigenvectors of these free-electron equations correspond exactly to those of the free-electron wave functions found by the usual methods. From this correspondence, a theorem is deduced about the free-electron charge density in alternant hydrocarbons.

Fluoreszenzlöschung alternierender und nicht-alternierender polycyclischer aromatischer Kohlenwasserstoffe durch Nitroverbindungen / Fluorescence Quenching of Alternant and Non-alternant Polycyclic Hydrocarbons by Nitro Compounds

1977 ◽  
Vol 32 (12) ◽  
pp. 1561-1563 ◽  
Author(s):  
M. Zander
Keyword(s):  
Electron Transfer ◽  
Fluorescence Quenching ◽  
Excitation Energy ◽  
Reduction Potential ◽  
Nitro Compounds ◽  
Polycyclic Hydrocarbons ◽  
Electron Transfer Mechanism ◽  
Diffusion Controlled ◽  
Polycyclic Aromatic ◽  
Alternant Hydrocarbons

Abstract Fluorescence Quenching of Alternant and Non-alternant Polycyclic Hydrocarbons by Nitro Compounds Fluorescence quenching of polycyclic aromatic hydro­ carbons by nitromethane or nitrobenzene in fluid solutions is due to an electron transfer mechanism. The non diffusion controlled rate constant of quenching is very much greater for alternant than for non-alternant hydrocarbons with equal singlet excitation energy. This is explained by the known more positive reduction potential of non-alternant compared to alternant hydrocarbons.

Electronic structure of non-alternant hydrocarbons, their analogues and derivatives—X

Tetrahedron ◽  
1966 ◽  
Vol 22 (4) ◽  
pp. 1355-1366 ◽  
Author(s):  
R. Zahradník ◽  
J. Michel ◽  
J. PancíŘ
Keyword(s):  
Electronic Structure ◽  
Alternant Hydrocarbons

Quantum chemical studies in the design of organic metals. III. Odd-alternant hydrocarbons - The phenalenyl (ply) system

1975 ◽  
Vol 28 (11) ◽  
pp. 2343 ◽  
Author(s):  
RC Haddon
Keyword(s):  
Electronic Structure ◽  
Structural Change ◽  
Ground State ◽  
Quantum Chemical ◽  
Low Energy ◽  
Organic Metals ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Alternant Hydrocarbons ◽  
Equilibrium Geometries

The MINDO/3 SCF MO method has been used to investigate the equilibrium geometries, electronic structure and ground state properties of ply and its univalent ions. The results indicate that ply has a low energy of disproportionation and that electron addition or removal leads to little structural change. From an analysis of the results it is concluded that odd-alternant hydrocarbons, and systems based on the ply nucleus in particular, have many of the characteristics which are considered to be important in the design of organic metals and superconductors.

Sign in / Sign up

Export Citation Format

Share Document