Theoretical investigation of the hydrogen bond interactions of methanol and dimethylamine with hydrazone and its derivatives

Matrix isolation FTIR study of hydrogen-bonded complexes of methanol with heterocyclic organic compounds

“…The formation of new particles in the ambient atmosphere is a complex phenomenum, but the detailed molecular level processes and the exact participating molecules still remain largely unknown. MeOH is believed to be a common hydrogen bond donor to drive gas to particle conversion, 37,38 and heterocyclic organic compounds are quite possible to be candidate species to stabilize MeOH clusters via hydrogen bond. In this work, the hydrogen bond between MeOH and four heterocyclic compounds including furan, DHF, pyrrole and thiophene were investigated using matrix isolation FTIR spectroscopy.…”

Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol

“…The red shifts of the OH-stretching frequencies in the MeOH–amide (A) and (B) complexes were in the range of 147–320 cm −1 and the intensities were increased more than 19 times with respect to the MeOH monomer. The red shifts of the OH-stretching vibrational transition of the O–H∙∙∙O hydrogen bond upon complexation were reported to be 169 cm −1 (B3LYP-D3/aug-cc-pVTZ) for MeOH– N- nitrosodimethylamine (NDMA) [ 43 ]. For MeOH–dimethyl ether (DME), the calculated O–H∙∙∙O hydrogen bond frequency was 3659 cm −1 (B3LYP/aug-cc-pVTZ) with a red shift of 170 cm −1 and the corresponding intensity was increased by 18 times as compared with the monomer [ 44 ].…”