TY - JOUR
T1 - Comparison between theoretically and experimentally determined electronic properties
T2 - applications to two-photon singlet oxygen sensitizers
AU - Nielsen, Christian Benedikt Orea
AU - Sørensen, Henning Osholm
AU - Kongsted, Jacob
PY - 2015/3/12
Y1 - 2015/3/12
N2 - A series of oligo-phenylenevinylenes are investigated by spectroscopic measurements and calculations with the aim to rationalize the correlation between the electronic structure of the molecules and their efficiency as two-photon singlet oxygen sensitizers. The band-shape functions of selected two-photon absorption processes are analyzed and the corresponding spectra are deconvoluted. This analysis allows for a comparison between calculated and measured two-photon absorption cross sections where a reasonable agreement is found.
AB - A series of oligo-phenylenevinylenes are investigated by spectroscopic measurements and calculations with the aim to rationalize the correlation between the electronic structure of the molecules and their efficiency as two-photon singlet oxygen sensitizers. The band-shape functions of selected two-photon absorption processes are analyzed and the corresponding spectra are deconvoluted. This analysis allows for a comparison between calculated and measured two-photon absorption cross sections where a reasonable agreement is found.
U2 - 10.1021/jp5122849
DO - 10.1021/jp5122849
M3 - Journal article
C2 - 25647309
SN - 1089-5639
VL - 119
SP - 1906
EP - 1916
JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
IS - 10
ER -