Metal–metal interactions in 2–Fe ferredoxins; SCF-Xα-SW calculations
- 1 January 1978
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 23,p. 1027-1029
- https://doi.org/10.1039/c39780001027
Abstract
SCF–Xα–SW calculations on Fe2S2(SH)4 2– show that (i) the antiferromagnetism of 2–Fe ferredoxins is due to superexchange rather than direct Fe–Fe overlap; (ii) the weak direct Fe–Fe bonding present is concentrated not in the Fe 3d band, but in a lower lying, mainly Fe–(bridging S) orbital.This publication has 0 references indexed in Scilit: