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The molecular structure and X-as well as Q-band EPR studies of tetra-n-butylammonium-bis(1,1-dicyanoethene-2,2-dithiolato)nitrosyliron(I) enriched with  57 Fe are reported, (n-Bu 4 N) 2 [Fe(NO)(i-mnt)2] crystallizes triclinically, space group P1̄ with a = 9,5147(7) Å, b = 10,4841(8) Å, c = 25,840(2) Å, α= 92,510(1)°, β= 92,895(1)°, γ= 111,156(1)° , Z = 2. The g and the hyperfine coupling tensors A N  and A Fe  derived from the EPR spectra are rhombically-symmetric: g 1  = 2,043, g 2  = 2,039, g 3  = 2,031, A 1  N  = 13,8·10 -4  cm -1 , A 2  N  = 11,6·10 -4  cm -1 , A 3  N  = 15,2·10 -4 cm -1 , A 1  Fe  = 11,4·10 -4 cm -1 , A 2  Fe  = 15,7·10 -4 cm -1  and A 3  Fe  = -2,6·10 -4 cm -1 . The spin-density distribution within the first coordination sphere is discussed.

zeitschrift für naturforschung b

Synthese, Struktur-und EPR-Untersuchungen an  57 Fe-markiertem Tetra-n-butylammonium-bis(1,1-dicyanoethen-2,2-dithiolato)nitrosyleisen(I), (n-Bu 4 N) 2  [ 57 Fe(NO)(i-mnt) 2 ] / Synthesis, Structural, and EPR Investigations on  57 Fe Enriched Tetra-n-butylammonium- bis(1,1-dicyanoethene-2,2-dithiolato)nitrosyliron(I), (n-Bu 4 N) 2 [ 57 Fe(NO)(i-mnt) 2 ]