Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O
-
Olaf Reckeweg
,
Armin Schulz
The crystal structure of Li[SCN] · 2 H2O has been determined by single-crystal X-ray diffraction on commercially available material. Crystals of this compound are colorless, transparent and hygroscopic. Li[SCN] · 2H2O adopts the orthorhombic space group Pnma with the cell parameters a = 572.1(3), b = 809.3(4) and c = 966.9(4) pm and Z = 4. Li[SCN] was obtained by dehydration of the afore-mentioned dihydrate and also crystallizes orthorhombically in Pnma with the lattice parameters a = 1215.1(3), b = 373.6(1) and c = 529:9(2) pm (Z = 4). Both compounds contain Li+ cations in sixfold coordination. Four water molecules and two nitrogen-attached thiocyanate anions [SCN]- arrange as trans-octahedra [Li(OH2)4(NCS)2]- in the case of Li[SCN] · 2 H2O. Anhydrous Li[SCN] displays fac-octahedra [Li(NCS)3(SCN)3]5- with six thiocyanate anions grafting via both nitrogen and sulfur atoms, three each. Infrared and Raman spectra of both compounds were recorded and a DSC=TG measurement was performed on Li[SCN] · 2 H2O.
Graphical Abstract
![Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O](/document/doi/10.5560/znb.2014-3220/asset/graphic/s69b0017.png)
Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O
© 1946 – 2014: Verlag der Zeitschrift für Naturforschung
Articles in the same Issue
- The Hexaammine Copper(II) Fluoride Monohydrate [Cu(NH3)6][F(H2O)F]: Synthesis and Crystal Structure
- Fluorodinitroethyl Ortho-carbonate and -formate as Potential High Energy Dense Oxidizers
- Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O
- Phosphanchalkogenide und ihre Metallkomplexe. II. Komplexe einiger Gold(I)-Halogenide mit Diphosphanmonochalkogeniden [1] / Phosphane Chalcogenides and their Metal Complexes. II. Gold(I) Halide Complexes of some Diphosphane Monochalcogenides
- Synthesis, Crystal Structures and Properties of Two Heterometallic Complexes [Cu2M] (M = Cd, Mn) with a Novel Oxamato-bridged Ligand
- In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets
- Syntheses, Crystal Structures and Magnetic Properties of Two Nickel(II) Compounds with 4,4´- Bipyridine Ligands
- 2,3-Dihydro-1,3,4,5-tetraisopropylimidazol-2-yliden / 2,3-Dihydro-1,3,4,5-tetraisopropylimidazol-2-ylidene
- Improved Synthesis and Characterization of 2-(Dinitromethylene)-1- nitro-1,3-diazacyclopentane
- Functionalized Pyrazoles as Agents in C–C Cross-Coupling Reactions
- Monosaccharidic Push-pull Butadienes: Versatile Synthetic Intermediates
- Synthesis, Characterization and Antifungal Evaluation of Novel 2H-1,4-Benzoxazin-3(4H)-one Derivatives Linked with a 1,2,3-Triazole Moiety
- Ab-initio Studies of the Electronic Structures of the Hexavalent Uranium Compounds K2UO4 and Na4UO5
- Two New Diterpenoids from the Beibu Gulf Gorgonian Anthogorgia caerulea
- Sr2Au6Al3 and Eu2Au6Al3 – First Representatives of the Sr2Au6Zn3 Type with Aluminum Triangles
- Reaction of Copper(I) Nitrotetrazolate (DBX-1) with Sodium m-Periodate
Articles in the same Issue
- The Hexaammine Copper(II) Fluoride Monohydrate [Cu(NH3)6][F(H2O)F]: Synthesis and Crystal Structure
- Fluorodinitroethyl Ortho-carbonate and -formate as Potential High Energy Dense Oxidizers
- Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O
- Phosphanchalkogenide und ihre Metallkomplexe. II. Komplexe einiger Gold(I)-Halogenide mit Diphosphanmonochalkogeniden [1] / Phosphane Chalcogenides and their Metal Complexes. II. Gold(I) Halide Complexes of some Diphosphane Monochalcogenides
- Synthesis, Crystal Structures and Properties of Two Heterometallic Complexes [Cu2M] (M = Cd, Mn) with a Novel Oxamato-bridged Ligand
- In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets
- Syntheses, Crystal Structures and Magnetic Properties of Two Nickel(II) Compounds with 4,4´- Bipyridine Ligands
- 2,3-Dihydro-1,3,4,5-tetraisopropylimidazol-2-yliden / 2,3-Dihydro-1,3,4,5-tetraisopropylimidazol-2-ylidene
- Improved Synthesis and Characterization of 2-(Dinitromethylene)-1- nitro-1,3-diazacyclopentane
- Functionalized Pyrazoles as Agents in C–C Cross-Coupling Reactions
- Monosaccharidic Push-pull Butadienes: Versatile Synthetic Intermediates
- Synthesis, Characterization and Antifungal Evaluation of Novel 2H-1,4-Benzoxazin-3(4H)-one Derivatives Linked with a 1,2,3-Triazole Moiety
- Ab-initio Studies of the Electronic Structures of the Hexavalent Uranium Compounds K2UO4 and Na4UO5
- Two New Diterpenoids from the Beibu Gulf Gorgonian Anthogorgia caerulea
- Sr2Au6Al3 and Eu2Au6Al3 – First Representatives of the Sr2Au6Zn3 Type with Aluminum Triangles
- Reaction of Copper(I) Nitrotetrazolate (DBX-1) with Sodium m-Periodate
