シアニン色素の半経験的分子軌道計算

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概要

• 論文の詳細を見る

• We calculated geometries and energies of several trans-cis isomers for six kinds of cyanine dyes based on a semiempirical molecular orbital (MO) method, MNDO (modified neglect of diatomic overlap) method. Potential energy curves of isomerization as a function of the angle of rotation about several C-C bonds are also calculated. The structures of stable isomers and photoisomers of cyanine dyes are discussed. It is demonstrated that ionpair formation of a cyanine dye in a nonpolar solvent could affect bond lengths, bond orders, and charge distribution of the cyanine dye.

• 1994-01-25

著者

• 笠谷 和男

  Laboratory of Physical Chemistry, Fukuoka Women's University

• 上野 亜希子

  Laboratory of Physical Chemistry, Fukuoka Women's University

• 緒方 敬子

  Laboratory of Physical Chemistry, Fukuoka Women's University

• 上野 亜希子

  Laboratory Of Physical Chemistry Fukuoka Women's University

• 香月 美加

  Laboratory of Physical Chemistry, Fukuoka Women's University

• 笠谷 和男

  Laboratory Of Physical Chemistry Fukuoka Women's University

• 緒方 敬子

  Laboratory Of Physical Chemistry Fukuoka Women's University

• 香月 美加

  Laboratory Of Physical Chemistry Fukuoka Women's University

関連論文

• シアニン色素の半経験的分子軌道計算
• DODCの第二励起一重項状態のピコ秒蛍光寿命測定

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