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A simple, practical method for treating the proton tunneling in 2-nitromalonaldehyde (NO 2 MA) was used. A two-dimensional potential energy surface (PES) function, which couples OH stretching and in-plane bending modes, has been constructed for motions of the hydrogen atom by the aid of quantum mechanical calculations at the MP2/6-31G** level for a fixed skeleton geometry. This PES function...
A meso-2,6-dichlorophenyl pentapyrrin was prepared using a modified method for dipyrrane synthesis followed by simple DDQ oxidation. The fully conjugated structures formed via redox inter-conversions were studied using crystallographic as well as observed and calculated spectral data.
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