On June 4, 2007, Ortiz-Sanchez, Juan Manuel; Gelabert, Ricard; Moreno, Miquel; Lluch, Jose M. published an article.Product Details of 75449-26-2 The title of the article was A comparative study on the photochemistry of two bipyridyl derivatives: [2,2′-bipyridyl]-3,3′-diamine and [2,2′-bipyridyl]-3,3′-diol. And the article contained the following:
The two isoelectronic bipyridyl derivatives, [2,2′-bipyridyl]-3,3′-diamine and [2,2′-bipyridyl]-3,3′-diol, are exptl. known to undergo very different excited-state double-proton-transfer processes, which result in fluorescence quantum yields that differ by four orders of magnitude. Herein, d. functional theory (DFT), time-dependent DFT (TDDFT), and complete active space SCF (CASSCF) calculations are used to study the double-proton-transfer processes in the ground and first singlet π-π* excited state. The quantum-chem. calculations indicate (1) the existence of only one energy min. in the ground electronic state corresponding to reactants (thus avoiding the possibility of a fast fluorescent relaxation process from the photo-products region), (2) an endoergic process of the complete double proton transfer, and (3) the presence of a conical intersection in the excited intermediate region of [2,2′-bipyridyl]-3,3′-diamine. These facts explain the very low fluorescence quantum yield in [2,2′-bipyridyl]-3,3′-diamine compared to [2,2′-bipyridyl]-3,3′-diol. The experimental process involved the reaction of [2,2′-Bipyridine]-3,3′-diamine(cas: 75449-26-2).Product Details of 75449-26-2
The Article related to excited state double proton transfer bipyridyl derivative ab initio, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Product Details of 75449-26-2