Experimental and theoretical study of the arrangement, electronic structure and properties of neutral paramagnetic binuclear nitrosyl iron complexes with azaheterocyclic thyolyls having 'S-C-N type' coordination of bridging ligands

Experimental (in KBr pellet) and calculated (using PBE density functional method) IR spectra of binuclear nitrosyl iron complexes with azaheterocyclic thyolyl. The calculated IR spectrum was obtained by Lorentz convolution with half-width 2 cm−1.