Molecular structure on the detoxification of fluorinated liquid crystal monomers with reactive oxidation species in the photocatalytic process.

ABSTRACT: Fluorinated liquid crystal monomers (LCMs) are begun to emerge as new persistent organic pollutants. Herein, the structure-reactivity relationships of fluorinated LCMs 1,2,3-trifluoro-5-[3-(3-propylcyclohexyl)cyclohexyl]benzene (TPrCB), 1,2-difluoro-4-[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]benzene (DPrCB), 4-[(trans,trans)-4'-(3-Buten-1-yl)[1,1'-bicyclohexyl]-4-yl]-1,2-difluoro-benzene (BBDB) and 1-[4-(4-ethylcyclohexyl)cyclohexyl]-4(trifluoromethoxy)benzene (ECTB) subject to photocatalysis-generated oxidation species were investigated. The degradation rate constant of BBDB was 3.0, 2.6, and 6.8 times higher than DPrCB, TPrCB and ECTB, respectively. The results reveal that BBDB, DPrCB and TPrCB had mainly negative electrostatic potential (ESP) regions which were vulner

SUBMITTER: He S 

PROVIDER: S-EPMC9488053 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature