Issue 0, 1974
From the journal:

Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics

Calculation of spin–spin interaction between nickel ions in halide bridged dimers

Colin G. Barraclough  and  Robert W. Brookes  

Abstract

A configuration interaction method has been used to calculate the spin–spin interaction between two nickel ions through a 90° bridging chloride anion. The calculated values is J=+ 1.2 cm–1, compared to the experimental value of + 10 cm–1. The direct metal–metal interaction is negligible and anion–cation electron transfer is the important process. Although the overall result is a positive J value, there are important negative contributions from the 3s orbitals of the chloride.

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Article information

DOI
https://doi.org/10.1039/F29747001364
Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1974,70, 1364-1371

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Calculation of spin–spin interaction between nickel ions in halide bridged dimers

C. G. Barraclough and R. W. Brookes, J. Chem. Soc., Faraday Trans. 2, 1974, 70, 1364 DOI: 10.1039/F29747001364

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