Synthesis, vibrational spectra and single-crystal structure determination of 
lithium tricyanomethanide Li[C(CN)3]

Reckeweg, O.; Conrad, M.; Schulz, A.; DiSalvo, F.; Schleid, T.

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Synthesis, vibrational spectra and single-crystal structure determination of lithium tricyanomethanide Li[C(CN)₃]

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Reckeweg, O.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Schulz, A.
Miscellaneous, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Reckeweg, O., Conrad, M., Schulz, A., DiSalvo, F., & Schleid, T. (2018). Synthesis, vibrational spectra and single-crystal structure determination of lithium tricyanomethanide Li[C(CN)₃]. Zeitschrift für Naturforschung B, 73(3-4), 225-229.

Cite as: https://hdl.handle.net/21.11116/0000-000E-D3D4-4

Abstract

The long-elusive structure of lithium tricyanomethanide Li[C(CN)(3)] has been determined on the basis of material synthesized via a metathesis reaction of Ag[C(CN)(3)] with LiCl in water driven by AgCl precipitation and subsequently recrystallization from methanol. Li[C(CN)(3)] crystallizes in the non-centrosymmetric orthorhombic space group Ima2 with the unit-cell parameters a = 751.06(4), b = 1059.75(6) and c = 563.27(3) pm adopting a unique structure with planar [C(CN)(3)](-) anions exhibiting nearly ideal trigonal planar D-3h symmetry. The Li+ cations are coordinated by five independent tricyanomethanide anions forming a distorted square pyramid with Li-N distances between 202 and 249 pm. The vibrational frequencies were also determined and along with other properties of Li[C(CN)(3)] compared with those of related compounds.