Synthese, Struktur-und EPR-Untersuchungen an 57Fe-markiertem Tetra-n-butylammonium-bis(1,1-dicyanoethen-2,2-dithiolato)nitrosyleisen(I), (n-Bu4N)2 [57Fe(NO)(i-mnt)2] / Synthesis, Structural, and EPR Investigations on 57Fe Enriched Tetra-n-butylammonium- bis(1,1-dicyanoethene-2,2-dithiolato)nitrosyliron(I), (n-Bu4N)2[57Fe(NO)(i-mnt)2

Abstract

Abstract 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 57Fe are reported, (n-Bu4N)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 AN and AFe derived from the EPR spectra are rhombically-symmetric: g1 = 2,043, g2 = 2,039, g3 = 2,031, A1N = 13,8·10-4 cm-1, A2N = 11,6·10-4 cm-1, A3N = 15,2·10-4cm-1, A1Fe = 11,4·10-4cm-1, A2Fe = 15,7·10-4cm-1 and A3Fe = -2,6·10-4cm-1. The spin-density distribution within the first coordination sphere is discussed.