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More on molecular electronic structure of metal phthalocyanines (1974)

Mathur, S. C. ; Singh, Jai

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 8 (1974), S. 79-82

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Molecular orbitals of some of the 3d-transition metal phthalocyanines have been calculated. π-Electron charge densities over the atomic sites and the optical properties of the metal phthalocyanines have been calculated. The effect of the introduction of different metal atoms in the centre of the organic ring on the physical properties of the metal phthalocyanines has been discussed.

Additional Material: 3 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560080108

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