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Discrete [Yb(NCS) 3 (H 2 O) 5 ] Molecules in Pentaaquatriisothiocyanatoytterbium(III) Monohydrate
Author(s) -
Reckeweg Olaf,
Conrad Maurice,
Lissner Falk,
Schleid Thomas
Publication year - 2019
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201900038
Subject(s) - monoclinic crystal system , crystallography , acentric factor , molecule , crystal structure , raman spectroscopy , chemistry , stoichiometry , single crystal , infrared spectroscopy , metathesis , aqueous solution , x ray crystallography , thiocyanate , diffraction , inorganic chemistry , physics , organic chemistry , optics , polymerization , polymer
Single crystals of [Yb(NCS) 3 (H 2 O) 5 ] · H 2 O were synthesized from a salt‐metathesis reaction between stoichiometric amounts of aqueous solutions of Yb 2 (SO 4 ) 3 · 8H 2 O and Ba(NCS) 2 · 3H 2 O driven by the precipitation of Ba(SO 4 ), followed by isothermic evaporation of the filtered‐off solution at room temperature under atmospheric conditions. These crystals of the title compound came as transparent, colorless and hygroscopic needles. According to the X‐ray diffraction structure analysis [Yb(NCS) 3 (H 2 O) 5 ] · H 2 O crystallizes in the monoclinic space group P 2 1 with the lattice parameters a = 845.38(5), b = 719.26(4), c = 1219.65(7) pm, β = 103.852(3)° for Z = 2. The acentric crystal structure contains crystallographically unique Yb 3+ cations, each surrounded by three thiocyanate anions, all grafting with their nitrogen atoms, and five water molecules forming a neutral [Yb(NCS) 3 (H 2 O) 5 ] complex with square antiprismatic shape, completed by a sixth interstitial water molecule. ATR‐FT infrared and single‐crystal Raman spectra of [Yb(NCS) 3 (H 2 O) 5 ] · H 2 O confirm these findings.