Synthesis, photophysics and theoretical ab initio calculations of a bizwitterionic compound modeling the phototautomer of bipyridyl-diol

✍ Scribed by P. Borowicz; A. Grabowska; Ł. Kaczmarek; A. Leś; L. Adamowicz

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 505 KB
• Volume: 239
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)00477-l

✦ Synopsis

A new compound, 3-hydroxy-l,l'-dimethyl-3-oxido-[2,2'-bipyridinedium]hydroxide hydrate (1,1'-dimethyl-3,3'-dioxido-[2,2'-bipyridinedium] -DDB), was synthesized as a model of the transient product of the excited state intramolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)2). The photophysics and quantum chemical ab initio calculations of DDB are reported. The results confirm the zwitterionic character of the excited phototautomer of BP(OH) 2.