title: Synthesis, structures, and physical properties of benzo[k]fluoranthene-based linear acenes.
abstract: This work describes the syntheses, crystal structures, photophysical properties, and electro-chemical analyses of benzo[k]fluoranthene-based linear acenes, together with ab initio density functional theory computations on them. The molecules were prepared in generally moderate to good yields through Pd-catalyzed cycloadditions between 1,8-diethynylnaphthalene derivatives and aryl iodides. This protocol is simpler and more efficient than conventional methods. The scope and limitations of this reaction were examined. The structures of compounds 4hb, 15ac, 17ab, 19ac, and 24je were determined by X-ray analysis; they are either bent or twisted, rather than planar. The photophysical and electrochemical properties of these cycloadducts were also investigated and compared with computational predictions based on density functional theory.
authors.affiliation: Department of Chemistry, National Cheng Kung University, No. 1 Ta-Hsueh Rd., 70101 Tainan, Taiwan.
authors.forename: Yun-Hua
authors.initials: YH
authors.lastname: Kung
authors.forename: Yu-Sung
authors.initials: YS
authors.lastname: Cheng
authors.forename: Chia-Cheng
authors.initials: CC
authors.lastname: Tai
authors.forename: Wei-Szu
authors.initials: WS
authors.lastname: Liu
authors.forename: Chien-Chueh
authors.initials: CC
authors.lastname: Shin
authors.forename: Chih-Chung
authors.initials: CC
authors.lastname: Ma
authors.forename: Yi-Chan
authors.initials: YC
authors.lastname: Tsai
authors.forename: Tsun-Cheng
authors.initials: TC
authors.lastname: Wu
authors.forename: Ming-Yu
authors.initials: MY
authors.lastname: Kuo
authors.forename: Yao-Ting
authors.initials: YT
authors.lastname: Wu