MOSSBAUER EFFECT IN LOW-SPIN (D7) COMPLEX MOLECULES OF FE

被引:59
作者
OOSTERHUIS, WT
LANG, G
机构
[1] Nuclear Physics Division, A.E.R.E, Harwell
关键词
D O I
10.1063/1.1670907
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Mössbauer spectra of Fe(CN)6NO3- (complex I), Fe(CN)5NOH2- (complex II), and hemoglobin nitric oxide are presented and compared with theoretical predictions. The spectra of complex I show no magnetic hyperfme interaction, while those of complex II and hemoglobin nitric oxide correspond to calculated spectra based on the assumption of unpaired spin in sigma bonds. The iron orbital components of the sigma wavefunctions are about 75% and 50%, respectively. In order to account for the Mössbauer spectra in zero applied field, transferred hyperfine interaction of the unpaired spin with the nitrosyl nitrogen must be taken into account. Results are in general agreement with ESR measurements.
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页码:4381 / +
页数:1
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