Two-photon circular dichroism spectra calculated within an origin invariant density functional theory approximation in the absorption region where the lowest electronic excited states appear are presented for all nineteen essential amino acids in the gas phase. A comparison of intensities and characteristic features is made with the corresponding two-photon absorption and one-photon circular dichroism spectra for each species. Also, the contribution of the electric dipole, magnetic dipole and electric quadrupole transitions to the rotational strengths is analyzed in some detail. The remarkable fingerprinting capabilities of the two--photon circular dichroism spectroscopy are highlighted.
Ab initio study of the two-photon circular dichroism in chiral natural amino acids
Rizzo A;
2007
Abstract
Two-photon circular dichroism spectra calculated within an origin invariant density functional theory approximation in the absorption region where the lowest electronic excited states appear are presented for all nineteen essential amino acids in the gas phase. A comparison of intensities and characteristic features is made with the corresponding two-photon absorption and one-photon circular dichroism spectra for each species. Also, the contribution of the electric dipole, magnetic dipole and electric quadrupole transitions to the rotational strengths is analyzed in some detail. The remarkable fingerprinting capabilities of the two--photon circular dichroism spectroscopy are highlighted.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
