{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["13(2)"],"submitter":["Chakrabarty S"],"funding":["Department of Science and Technology, Ministry of Science and Technology, India"],"pubmed_abstract":["Using infrared spectroscopy and density functional theory (DFT) calculations, we scrutinized an amide (dimethylformamide) as a \"model\" compound to interpret the interactions of amide 1 with different phenol derivatives (<i>para</i>-chlorophenol (PCP) and <i>para</i>-cresol (CP)) as \"model guest molecules\". We established the involvement of amide I in vibrational coupling with symmetric and asymmetric C[double bond, length as m-dash]C modes of different phenolic derivatives and how their coupling was dependent upon different guest aromatic phenolic compounds. Interestingly, substitution of phenol perturbed the pattern of vibrational coupling with amide I. The symmetric and asymmetric C[double bond, length as m-dash]C modes of PC were coupled significantly with amide 1. For PCP, the symmetri"],"journal":["RSC advances"],"pagination":["1295-1300"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9814034"],"repository":["biostudies-literature"],"pubmed_title":["Inconsistent hydrogen bond-mediated vibrational coupling of amide I."],"pmcid":["PMC9814034"],"pubmed_authors":["Ghosh A","Chakrabarty S"],"additional_accession":[]},"is_claimable":false,"name":"Inconsistent hydrogen bond-mediated vibrational coupling of amide I.","description":"Using infrared spectroscopy and density functional theory (DFT) calculations, we scrutinized an amide (dimethylformamide) as a \"model\" compound to interpret the interactions of amide 1 with different phenol derivatives (<i>para</i>-chlorophenol (PCP) and <i>para</i>-cresol (CP)) as \"model guest molecules\". We established the involvement of amide I in vibrational coupling with symmetric and asymmetric C[double bond, length as m-dash]C modes of different phenolic derivatives and how their coupling was dependent upon different guest aromatic phenolic compounds. Interestingly, substitution of phenol perturbed the pattern of vibrational coupling with amide I. The symmetric and asymmetric C[double bond, length as m-dash]C modes of PC were coupled significantly with amide 1. For PCP, the symmetri","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2026-03-27T16:47:12.912Z","creation":"2025-04-04T14:27:29.88Z"},"accession":"S-EPMC9814034","cross_references":{"pubmed":["36686902"],"doi":["10.1039/d2ra07177k"]}}