UV-absorbing benzamide-based dendrimer precursors: synthesis, theoretical calculation, and spectroscopic characterization. (1st December 2021)

• Record Type: Journal Article
• Authors: Nnadiekwe, Chidera C.; Nada, Ahmed; Abdulazeez, Ismail; Imam, Mohammad R.; Janjua, Muhammad Ramzan Saeed Ashraf; Al-Saadi, Abdulaziz A.
• Is Part Of: New journal of chemistry. Volume 46:Number 1(2022)
• Page Start: 75
• Page End: 85
• Publication Date: 2021-12-01
• Subjects: Chemistry -- Periodicals; Chimie -- Périodiques; 540
• DOI: 10.1039/d1nj04366h
• Languages: English
• ISSNs: 1144-0546

Abstract

Abstract : Janus (J) and Twin (T) benzamide-based branched structures were synthesized and characterized using theoretical and spectroscopic methods. Abstract : The ability to tune the structural properties with respect to size, polarity, and terminal functionalities makes dendrimers a highly attractive class of compounds with potential biological and catalytic applications. In the present study, Janus (J) and Twin (T) benzamide-based branched structures were synthesized from a primary precursor of methyl gallate and then further characterized using spectroscopic and theoretical techniques. The optimized structures of these dendrimer precursors at the B3LYP/6-311G(d) level revealed that the aliphatic chains in the most stable forms are oriented in the least strained arrangement with the (–benzene–O–CH2 −) linkage adopting the phenol-like configuration. UV–Vis spectra showed a consistent absorption at nearly 290 nm, suggesting that both molecules absorb within the ultraviolet region and are colorless. Prominent bands, which include the –OH vibrational stretch, the –CC– stretch, the –CO stretch, the –C–O in-plane stretch, and the –NH in-plane bending, were assigned and correlated with the structural and electronic aspects of the molecules.