Carbonic Acid - Europe PMC

Red-Shifting the Excitation Energy of Carbonic Acid Clusters Via Nonminimum Structures.

This equation-of-motion coupled cluster quantum chemical research on carbonic acid monomers and dimers shows that shifts to the internal heavy atoms in the monomer's dihedral angle lead to UV electronic excitations near to 200 nm with oscillator strengths that would result in observable characteristics. Consequently, the lower-energy distortions of u03c4 are sufficient to produce structures with excitation energies and oscillator strengths that will red-shift observed spectras of carbonic acid ices away from the highest UV absorption feature at 139 nm.

Source link: https://europepmc.org/article/MED/36622286

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