Abstract
It was found that the acid induced ring opening reaction of spiropyran proceeded in the dark to give the cis form which was further isomerized to the trans form by UV irradiation. The mechanisms of these reactions were well explained by molecular orbital calculations. The structure of the transition state of the acid induced ring opening reaction was optimized by MOPAC with PM3. The structure revealed the direction of the ring opening of spiropyran. Subsequent geometry optimizations gave a protonated open cis form as a transient of this dark reaction.
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