{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["12(21)"],"submitter":["Khalid M"],"pubmed_abstract":["Non-fullerene (NF)-based compounds have attracted much attention as compared to fullerene-based materials because of their promising optoelectronic properties, lower synthetic cost and greater stability. Usually, the end-capped groups have a promising impact in magnifying the nonlinear optical (NLO) characteristics in the non-fullerene molecules. Based on this, a series of new NLO active non-fullerene molecules (NFAD2-NFAD6) have been established. The non-fullerene molecules (NFAD2-NFAD6) were designed by end-capped modification in acceptor moieties of the reference (NFAR1), while donor and π-bridge moieties were kept the same in the entire series. Quantum chemistry-based calculations at the M06/6-311G(d,p) level were done to determine the NLO characteristics and for other supportive analy"],"journal":["RSC advances"],"pagination":["13412-13427"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9066771"],"repository":["biostudies-literature"],"pubmed_title":["Enriching NLO efficacy <i>via</i> designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach."],"pmcid":["PMC9066771"],"pubmed_authors":["Asiri AM","Figueiredo de AlcantaraMorais S","Shafiq I","Murtaza S","Arshad MN","Khalid M","Haroon M","Braga AAC"],"additional_accession":[]},"is_claimable":false,"name":"Enriching NLO efficacy <i>via</i> designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach.","description":"Non-fullerene (NF)-based compounds have attracted much attention as compared to fullerene-based materials because of their promising optoelectronic properties, lower synthetic cost and greater stability. Usually, the end-capped groups have a promising impact in magnifying the nonlinear optical (NLO) characteristics in the non-fullerene molecules. Based on this, a series of new NLO active non-fullerene molecules (NFAD2-NFAD6) have been established. The non-fullerene molecules (NFAD2-NFAD6) were designed by end-capped modification in acceptor moieties of the reference (NFAR1), while donor and π-bridge moieties were kept the same in the entire series. Quantum chemistry-based calculations at the M06/6-311G(d,p) level were done to determine the NLO characteristics and for other supportive analy","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Apr","modification":"2025-04-05T14:59:47.01Z","creation":"2025-02-19T01:23:34.959Z"},"accession":"S-EPMC9066771","cross_references":{"pubmed":["35520135"],"doi":["10.1039/d2ra01127a"]}}