Adduct formation of the zinc morpholinedithiocarbamate complex with morpholine as studied by CP/MAS 15N NMR and single-crystal X-ray diffraction

• The adduct of the zinc morpholineditiohcarbamate complex with morpholine [Zn(Mf)(MfDtc)2] and its solvated form [Zn(Mf)(MfDtc) 2]·Mf were studied by CP/MAS 15N NMR and single-crystal X-ray diffraction. These complexes are molecular, and the dithiocarbamate ligands therein are structurally nonequivalent. Solvation of the adduct aggravates this nonequivalence. The molecular and crystal structure of [Zn(Mf)(MfDtc)2]·Mf was determined by X-ray crystallography. The crystal structure of this compound has a system of ordered channels accommodating the outer-sphere morpholine molecules of solvation, which points to the formation of clathrate structures. The zinc coordination polyhedron [ZnS4N] is a somewhat distorted square pyramid with the four sulfur atoms at the base and the nitrogen atom at the apex. The square-pyramidal (SP) (97%) and trigonal-bipyramidal (TBP) (3%) contributions to the geometry of the zinc polyhedron were calculated. The 15N NMR signals were assigned to the structural positions of the nitrogen atoms in the molecular structure determined

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NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)

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Chemistry of Interfaces

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