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J Am Chem Soc. 2011 Mar 23;133(11):3824-7. doi: 10.1021/ja2003473. Epub 2011 Mar 2.

Spin crossover in a four-coordinate iron(II) complex.

Author information

1
Department of Chemistry and Biochemistry, New Mexico State University, Las Cruces, New Mexico 88003, United States.

Abstract

The four-coordinate iron(II) phosphoraniminato complex PhB(MesIm)(3)Fe-N═PPh(3) undergoes an S = 0 to S = 2 spin transition with T(C) = 81 K, as determined by variable-temperature magnetic measurements and Mössbauer spectroscopy. Variable-temperature single-crystal X-ray diffraction revealed that the S = 0 to S = 2 transition is associated with an increase in the Fe-C and Fe-N bond distances and a decrease in the N-P bond distance. These structural changes have been interpreted in terms of electronic structure theory.

PMID:
21366252
DOI:
10.1021/ja2003473

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