TY - JOUR
T1 - Facile formation of a benzopyrane-fused [28]hexaphyrin that exhibits distinct Möbius aromaticity
AU - Tokuji, Sumito
AU - Shin, Jae Yoon
AU - Kil, Suk Kim
AU - Jong, Min Lim
AU - Youfu, Katsuyuki
AU - Saito, Shohei
AU - Kim, Dongho
AU - Osuka, Atsuhiro
PY - 2009/6/3
Y1 - 2009/6/3
N2 - (Chemical Equation Presented) A benzopyrane-fused [28]hexaphyrin, 2, was prepared by simple heating of [26]hexaphyrin 1 in acetic acid. Fused [28]hexaphyrin 2 features a molecular twist, a distinct diatropic ring current, a large HOMA value, a large negative NICS value, and a large two-photon absorption (TPA) cross section even at room temperature, all of which support the M bius aromaticity of 2. To the best of our knowledge, 2 is the first macrocycle that acquires distinct M bius aromaticity without any assistance from metal coordination, temperature control, or protonation.
AB - (Chemical Equation Presented) A benzopyrane-fused [28]hexaphyrin, 2, was prepared by simple heating of [26]hexaphyrin 1 in acetic acid. Fused [28]hexaphyrin 2 features a molecular twist, a distinct diatropic ring current, a large HOMA value, a large negative NICS value, and a large two-photon absorption (TPA) cross section even at room temperature, all of which support the M bius aromaticity of 2. To the best of our knowledge, 2 is the first macrocycle that acquires distinct M bius aromaticity without any assistance from metal coordination, temperature control, or protonation.
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U2 - 10.1021/ja902836x
DO - 10.1021/ja902836x
M3 - Article
C2 - 19432444
AN - SCOPUS:67650513899
SN - 0002-7863
VL - 131
SP - 7240
EP - 7241
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 21
ER -