Investigation of the H2CO···HF complex in gas phase by the help of FTIR spectroscopy and computational methods

Abstract

High-resolution infrared absorption spectra of the H2CO···HF complex and its monomers are recorded in gas phase in C=O and C−H regions by means of Bruker HR 125 spectrometer recorded with a resolution of 0.05 cm−1. Upon the complexation in the HF stretching band of complex the asymmetrical shape was not observed due to weak interaction between C=O and C−H stretching of the H2CO···HF complex. Quantum-chemical calculations are performed in mp2//6-311++g(3df, 3pd) approximation and calculated geometrical, energetic, and spectral parameters of the complex.