Investigation of the Molecular Level Interaction in [CH<sub>3</sub>OH-CH<sub>2</sub>X<sub>2</sub>] Complexes (X=I, Br, and Cl) using Matrix-Isolation IR Spectroscopy.
Ontology highlight
ABSTRACT: The CH3OH-CH2X2${\left[ {{\rm{CH}}_{\rm{3}} {\rm{OH}} - {\rm{CH}}_{\rm{2}} {\rm{X}}_{\rm{2}} } \right]}$ (X=Cl, Br, and I) complexes have been studied to understand the tendency towards the formation of hydrogen bonds and halogen bonds. Three different types of interactions viz., C-X ···${ \cdot \cdot \cdot }$ O, C-H ···${ \cdot \cdot \cdot }$ O, and O-H ···${ \cdot \cdot \cdot }$ X, are possible between the CH3OH${{\rm{CH}}_{\rm{3}} {\rm{OH}}}$ and CH2X2${{\rm{CH}}_{\rm{2}} {\rm{X}}_{\rm{2}} }$ . Experiments have been carried out in low temperature N2${{\rm{N}}_{\rm{2}} }$ matrix using Fourier Transform Infrared spectroscopy. Electronic structure calculations have been performed to identify the possible binding motifs between CH2X2${{\rm{CH}}_{\rm{2}} {\rm{X}}_{\rm{2}} }$ and CH3OH${{\rm{
SUBMITTER: Kumar Agrawal S
PROVIDER: S-EPMC11916681 | biostudies-literature | 2025 Mar
REPOSITORIES: biostudies-literature
ACCESS DATA
