Abstract
A comparative study of the infrared spectra for the 1:1 EDA complexes of pyridine, quinoline and acridine with BCl 3 yielded assignment of the NB frequency, which is identified as the shifted ring breathing mode of the azine. AM1 calculations for the interaction of BCl 3 with these molecules predict stable complexes at an NB intermolecular separation of 1.62–1.63 Å with the orientation of the non-planar BCl 3 being different for each azine donor. Predicted NB vibrational frequencies correlate well with the experimental values, the formation constant of the complex and the basicity of the donor. Results confirm an increasing n-electron pair donor strength in the order quinoline<pyridine<acridine. A normal coordinate analysis for the n→ σ type C 3 v EDA complex NH 3→BCl 3 is also included and is consistent with ab initio calculations and experimental data.
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More From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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