@article{oai:tohoku-mpu.repo.nii.ac.jp:00000199, author = {片岡, 正浩 and Kataoka, Masahiro}, issue = {53}, journal = {東北薬科大学研究誌, Journal of Tohoku Pharmaceutical University}, month = {Dec}, note = {C-C bond lengths of circular [8]phenylene have been optimized by the Pariser-Parr-Pople-type SCF MO method with a variable bond-length technique. It is found that this [8]phenylene has delocalized six-membered rings and bond-alternated ones. In the molecule, the central six-membered rings are calculated to have delocalized structures. The other six-membered rings have bond alternations. Calculation of magnetic susceptibility predicts that the molecule is weakly diamagnetic. From the viewpoint of magnetic susceptibility, it is expected that the molecule is weakly aromatic or nonaromatic. The electronic spectrum of the molecule has also been calculated.}, pages = {125--127}, title = {環状[8]phenyleneのC-C結合距離,電子スペクトルおよび磁化率の計算}, year = {2006}, yomi = {カタオカ, マサヒロ} }