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Magnetic properties and electronic structure of manganese(III) porphyrins

✍ Scribed by L.B. Dugad; D.V. Behere; V.R. Marathe; S. Mitra


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
391 KB
Volume
104
Category
Article
ISSN
0009-2614

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✦ Synopsis


The average magnetic susceptibility 0-2-100 K) and magnetisation (105-15500 Oe at 4.2 IQ of two perchlorato manganese(lII) porphyrins establish them to be high-spin, in contrast to the "anomalous" behaviour of analogous iron(M) porphyrins An explanation of the origin of the zero-field splitting in high-spin man_@mese(III) porphyrins is presented.


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✍ D. Lamoen; M. Parrinello πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 488 KB

We present a theoretical investigation based on density functional theory of the geometry and electronic structure of free base porphyrin and porphyrazine and their magnesium and palladium derivatives. The calculations are performed within the local density approximation and make use of pseudopotent