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Synthesis and Characterization of the Lewis Acid‐Base Complexes SbCl 5 · LB (LB = ICN, BrCN, ClCN, 1 / 2 (CN) 2 , NH 2 CN, Pyridine) – a Combined Theoretical and Experimental Investigation. The Crystal Structures of SbCl 5 · NCCl and SbCl 5 · NCCN · SbCl 5
Author(s) -
Klapötke Thomas M.,
Nöth Heinrich,
Schütt Thomas,
Suter Max,
Warchhold Marcus
Publication year - 2001
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 - 10.1002/1521-3749(200107)627:7<1582::aid-zaac1582>3.0.co;2-7
Subject(s) - lewis acids and bases , natural bond orbital , chemistry , raman spectroscopy , pyridine , adduct , crystallography , crystal structure , density functional theory , computational chemistry , medicinal chemistry , catalysis , organic chemistry , physics , optics
The Lewis acid‐base complexes SbCl 5 · LB (LB = ICN, BrCN, ClCN, 1 / 2 (CN) 2 , NH 2 CN, pyridine) were prepared. The products formed were characterized by Raman and NMR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Vibrational assignments of the normal modes for these Lewis acid‐base adducts was made on the basis of their Raman spectra in comparison with computational results. The stability of the complexes was investigated by calculating the bond dissociation enthalpy. SbCl 5 · NCCl and SbCl 5 · NCCN · SbCl 5 were characterized by X‐ray structural analysis. NBO analyses were performed on the crystallographic data.