Inconsistent hydrogen bond-mediated vibrational coupling of amide I. Issue 2 (5th January 2023)

• Record Type: Journal Article
• Authors: Chakrabarty, Suranjana; Ghosh, Anup
• Is Part Of: RSC advances. Volume 13:Issue 2(2023)
• Page Start: 1295
• Page End: 1300
• Publication Date: 2023-01-05
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d2ra07177k
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : The involvement of amide I in vibrational coupling with symmetric and asymmetric CC modes of different phenolic derivatives. 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 ( para -chlorophenol (PCP) and para -cresol (CP)) as "model guest molecules". We established the involvement of amide I in vibrational coupling with symmetric and asymmetric C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C modes of PC were coupled significantly with amide 1. For PCP, the symmetric CC mode coupled significantly, but the asymmetric mode coupled negligibly, with amide I. Here, we reveal the nature of vibrational coupling based on the structure of a guest molecule hydrogen-bonded with amide I. Our conclusions could be valuable for depiction of the unusual dynamics of coupled amide-I modes as well as the dependency of vibrational coupling on altered factors.