This website has been renewed in January 2016.
The new website is here.

Pesticide Science Society of Japan

Experimental and Theoretical Studies on Photodegradation of Fungicide Diniconazole

Toshiyuki KATAGI

J. Pestic. Sci. 27, 111-117 (2002)

The fungicide diniconazole [(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol] underwent (E)/(Z) isomerization and subsequent cyclization of its (Z)-isomer to form an isoquinoline derivative on exposure to UV light ([lambda]D250 nm) in methanol. The molecular geometry of the (Z)-isomer estimated from the semi-empirical AM1 molecular orbital calculations based on measurements of nuclear spin-lattice relaxation times was successfully utilized to simulate the electronic transitions of the fluorescent difluorinated derivative of the (Z)-isomer by CNDO/S calculations taking configuration interactions into consideration. The photolysis index for one-electron transition ([DELTA]Mij) strongly suggested that photo-induced cyclization proceeds via an excited singlet state.


Back