The feasibility of calculations of two-photon circular dichroism (TPACD) by means of response theory is demonstrated. The results from sample applications, involving the calculation of residues of appropriate frequency dependent quadratic response functions within a density functional theory model, show that the structural content of TPACD spectra is very different from both normal circular dichroism and two-photon absorption, indicating a unique fingerprinting functionality for chiral species. Combined with increased penetrability of the infrared exciting light and the confocal nature of two-photon absorption, this makes TPACD a useful tool for biomolecular identification.
Response theory calculations of two-photon circular dichroism
Rizzo A;
2005
Abstract
The feasibility of calculations of two-photon circular dichroism (TPACD) by means of response theory is demonstrated. The results from sample applications, involving the calculation of residues of appropriate frequency dependent quadratic response functions within a density functional theory model, show that the structural content of TPACD spectra is very different from both normal circular dichroism and two-photon absorption, indicating a unique fingerprinting functionality for chiral species. Combined with increased penetrability of the infrared exciting light and the confocal nature of two-photon absorption, this makes TPACD a useful tool for biomolecular identification.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
