Magnetism and Electronic Structure of a Series of Encapsulated First-Row Transition Metals

Inorganic Chemistry

Volumn 29, Issue 7, 1990, Pages 1387-1394

  Martin, Lisandra L ^a   Sargeson, Alan M ^a   Martin, Raymond L ^b   Murray, Keith S ^b  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b MONASH UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000722985     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/ic00332a021     Document Type: Article

References (55)

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2. Creaser, I. I.; Gahan, L. R.; Hagen, K. S.; Harrowfield, J. M.; Lawrance, G. A.; Martin, L. L.; Sargeson, A. M.; White, A. H. Manuscript in preparation.
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13. dtne = l,2-bis(l,4,7-triaza-l-cyclononyl)ethane; cf.: Wieghardt, K.; Tolksdorf, I.; Herrmann, W. Inorg. Chem. 1985, 24, 1230.
14. Comba, P.; Creaser, I. Gahan, L. R.; Harrowfield, J. M.; Lawrance, G.A.; Martin, L. L.; Mau, A. W. H.; Sargeson, A. M.; Sasse, W. H. F.; Snow, M. R. Inorg. Chem. 1986, 25, 384.
15. 8cases was written and developed by K. J. Berry and called COM/MAO. It involves diagonalization of the appropriate matrix under the spin Hamiltonian operator. The individual x, y, and z components of susceptibility are calculated and then averaged to give x (average). The program employs the thermodynamic expression for susceptibility rather than Van Vleck’s equation. For further details, see: Berry, K. J.; Clark, P. E.; Murray, K. S.; Raston, C. L.; White, A. H. Inorg. Chem. 1983, 22, 3928.
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39. Two separate computer programs were used in sequence to fit these data. Both these programs were written by E. N. Bakshi and run on a VAX/VMS computer. (1) MATRIX produced the matrix elements for the appropriate Hamiltonian, and (2) MAGB employed the above matrix elements to calculate the magnetic susceptibility.
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