Impact of the boron substituent on the molecular structures and electronic properties of N-heterocycle-substituted indolylboranes. (December 2021)

• Record Type: Journal Article
• Authors: Wang, Yitong; Xu, Na; Gai, Lizhi; Xiao, Xuqiong; Xu, Zheng; Wu, Lianbin; Lu, Hua
• Is Part Of: Dyes and pigments. Volume 196(2022)
• Publication Date: 2021-12
• Subjects: Organoboron -- BN-Embedded -- DFT calculations -- Spectroscopic properties; Dyes and dyeing -- Periodicals; Pigments -- Periodicals; 667.2
• DOI: 10.1016/j.dyepig.2021.109807
• Languages: English
• ISSNs: 0143-7208

Abstract

Abstract: π-conjugated systems containing boron have emerged as exciting subjects in contemporary organic materials chemistry. A number of fascinating organoboron materials have been reported, however, knowledge of how the substituents on the boron affect electronic properties is inadequate. Herein, three new C, N chelates were designed, changing the substituent at boron led to the formation of tetra- and tri-coordinated systems that have distinct electronic structures and photophysical properties. The fluorophores containing different coordinate boron atom always exhibited distinctive optical properties, however, the exploration of the influence of the boron substituent on the molecular structures and electronic properties is inadequate. Herein, three new C, N chelates were designed, changing the substituent at boron led to the formation of tetra- and tri-coordinated systems that have distinct electronic structures and photophysical properties. Graphical abstract: Image 1 Highlights: Novel C and N chelates were designed to the formation of tetra- and tri-coordinated systems. Remarkable spectral and electronic properties were observed for the tri- and tetra-coordinated compounds. Theoretical calculations were carried out to analyze the structure-property relationships of organoboron system.