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meso ‐Alkynyl BODIPYs: Structure, Photoproperties, π‐Extension, and Manipulation of Frontier Orbitals
Author(s) -
Kusaka Shinpei,
Sakamoto Ryota,
Kitagawa Yasutaka,
Okumura Mitsutaka,
Nishihara Hiroshi
Publication year - 2013
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201201176
Subject(s) - extension (predicate logic) , frontier , atomic orbital , computer science , physics , geography , quantum mechanics , programming language , electron , archaeology
Bodipy building : meso ‐Alkynyl BODIPY monomers and dimers were synthesized and their crystal structures, photochemical properties, and electronic structures disclosed. The meso ‐arylethynyl group is coplanar with the BODIPY core. The resulting efficient π‐conjugation red‐shifts the intense absorption and bright fluorescence by about 40–70 nm. Cyclic voltammetry and DFT calculations revealed that the LUMO level is stabilized by meso ‐alkynylation, while the HOMO level remains constant.