Calculated two-photon electronic transitions in sulfuric acid and its atmospheric relevance

TY - JOUR

T1 - Calculated two-photon electronic transitions in sulfuric acid and its atmospheric relevance

AU - Mogensen, D.

AU - Mikkelsen, Kurt Valentin

AU - Kjærgaard, Henrik Grum

PY - 2010/9/30

Y1 - 2010/9/30

N2 - We have calculated two-photon electronic transitions for sulfuric acid (H2SO4) in the ultraviolet region using coupled cluster quadratic response theories combined with correlation consistent basis sets. We have investigated how the intensity of two-photon electronic transitions in H2SO4 depends on the wavelength of the photons absorbed. We find that the intensity is more or less constant in the wavelength region in which the density of solar flux is of any importance. We have calculated the J-values for the photodissociation of H2SO4 with absorption of two photons and compared these with previously calculated J-values for one-photon absorption. We find that two-photon electronic transitions of H2SO4 are not a significant mechanism in the photodissociation of H2SO4.

AB - We have calculated two-photon electronic transitions for sulfuric acid (H2SO4) in the ultraviolet region using coupled cluster quadratic response theories combined with correlation consistent basis sets. We have investigated how the intensity of two-photon electronic transitions in H2SO4 depends on the wavelength of the photons absorbed. We find that the intensity is more or less constant in the wavelength region in which the density of solar flux is of any importance. We have calculated the J-values for the photodissociation of H2SO4 with absorption of two photons and compared these with previously calculated J-values for one-photon absorption. We find that two-photon electronic transitions of H2SO4 are not a significant mechanism in the photodissociation of H2SO4.

M3 - Journal article

SN - 0009-2614

VL - 498

SP - 18

EP - 21

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -