Response theory calculations of two-photon circular dichroism
2005 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 414, no 06-apr, 461-467 p.Article in journal (Refereed) Published
The feasibility of calculations of two-photon circular dichroism (TPA-CD) 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 TPA-CD 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 TPA-CD a useful tool for biomolecular identification.
Place, publisher, year, edition, pages
2005. Vol. 414, no 06-apr, 461-467 p.
multiphoton absorption, permanent moments, chiral molecules, polarized-light, basis sets, scattering
IdentifiersURN: urn:nbn:se:kth:diva-15104DOI: 10.1016/j.cplett.2005.08.114ISI: 000232508900039ScopusID: 2-s2.0-25844432287OAI: oai:DiVA.org:kth-15104DiVA: diva2:333145
QC 201005252010-08-052010-08-05Bibliographically approved