Absorption, Magnetic Circular Dichroism, IR Spectra, Electrochemistry, and Molecular Orbital Calculations of Monoaza- and Opposite Diazaporphyrins

Calculated absorption and vibrational ci

Calculated absorption and vibrational circular dichroism spectra of fundamental and overtone transitions for a chiral HCCH molecular fragment in the hypothesis of coupled dipoles

✍ Roberto Gangemi; Giovanna Longhi; Sergio Abbate 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB 👁 1 views

## Abstract We establish the general behavior of absorption and vibrational circular dichroism spectra (VCD) of a chiral HCCH fragment lacking all symmetry elements; the study is limited to CH‐stretching modes, and the Hamiltonian employed is written in terms of normal‐mode coordinates and momenta