MINDO-Forces calculations with complete geometry optimization have been performed on nitromethane, aci-nitromethane and X-substituted nitromethane and aci-nitromethane (X = F, OH, NH2, CH3, CN, CF3, NO2, CHO). It is found that nitromethane is more stable than aci-nitromethane by 9.337 kcal/mol. This agrees with theoretical calculations. Thermodynamically, substituted acinitro tautomers are more...

A survey of heterocyclic hemithioindigo photoswitches is presented identifying a number structural motives with outstanding property profiles. The highly sought-after combination pronounced color change, quantitative switching in both directions, exceptional high quantum yields, and tunable thermal stability metastable states can be realized 4-imidazole, 2-pyrrole, 3-indole-based derivatives. I...

An isopyrazole (4H-pyrazole)-embedded nonane-2,4,6,8-tetraone derivative was synthesized as a masked-tetraketone for stepwise and multiple functionalization. The has six possible tautomers, but exists predominantly 12π-electron conjugated keto-enamine-imine-enol form, which also observed in the solid state by single crystal X-ray analysis. Stepwise functionalization to introduce metal-coordinat...