STUDY OF INTERMOLECULAR INTERACTIONS IN ANILINE-CHLOROFORM SOLUTIONS
In this work, when analyzing the vibrational bands of aniline in chloroform solutions using experiment (Raman spectroscopy) and calculations, a partial red shift was observed in the N-H stretching vibration band and a blue shift in the remaining bands. AIM, NCI and RDG analyses were performed to determine non-covalent interactions in molecular systems, and accordingly, it was confirmed that a partial red shift was formed due to the presence of weak H-bonds through the N-H group in aniline-chloroform complexes. It was determined that mainly Van der Waals bonds were formed through the C-H group, and therefore blue shifts were observed. Also, molecular electrostatic potentials surface (MEPS) and frontier molecular orbitals (FMO) analyses were performed for the complexes to characterize chemical bonds in molecular systems and determine the zones where electrons are located.
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