Hirao, H. and Ohwada, T. (2005) Theoretical Revisit of Regioselectivities of Diels-Alder Reacions: Orbital-Based Reevaluation of Multicenterd Reactivity in Terms of Reactive Hybrid Orbitals. Journal of Physical Chemistry A, 109, 816-824.
http://dx.doi.org/10.1021/jp048111y

has been cited by the following article:

• TITLE: Photochemical Reactions of Microcystin-LR Following Irradiation with UV Light

  AUTHORS: Yoshihiro Mizukami

  KEYWORDS: Microcystin-LR, UV Irradiation, UV Spectra, DFT Calculations, Photochemical Reactions

  JOURNAL NAME: Open Journal of Physical Chemistry, Vol.6 No.4, October 25, 2016

  ABSTRACT: Photochemical reactions of microcystin-LR, a toxic compound produced by some blue green algae, were investigated. Ultraviolet absorption of microcystin-LR was assessed. Time-dependent density functional theory (TDDFT) calculations indicated that absorption peak at 238 nm was mainly due to excitation of electrons from the linear chain structure Adda of microcystin-LR. Irradiation of microcystin-LR with UV light resulted in the reduction of the 238 nm absorption peak and the appearance of a new peak at 300 nm. Density functional theory (DFT) and TDDFT calculations with a model molecule suggested that this 300 nm peak was due to tricyclo-Adda microcystin-LR, an intermediate in photochemical reactions of microcystin-LR. Analysis of the rate of this photochemical reaction showed that it was a first order reaction.