Forecasting two- photon absorption based on one-photon properties Mikhail Drobizhev, Zhiyong Suo, Aleks Rebane E. Scott Tarter, Benjamin D. Reeves, Brenda Spangler Fanqing Meng, Charles W. Spangler Craig J. Wilson, Harry L. Anderson Department of Physics, Montana State University, Bozeman, MT Sensopath Technologies, Inc., Bozeman, MT MPA Technologies, Inc., Bozeman, MT Department of Chemistry, University of Oxford, Mansfield, Oxford, UK Nikolay Makarov, Department of Physics, Montana State University
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Forecasting two-photon absorption based on one-photon properties Mikhail Drobizhev, Zhiyong Suo, Aleks Rebane E. Scott Tarter, Benjamin D. Reeves, Brenda.
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Forecasting two-photon absorption based on
one-photon properties
Mikhail Drobizhev, Zhiyong Suo, Aleks RebaneE. Scott Tarter, Benjamin D. Reeves, Brenda Spangler
Fanqing Meng, Charles W. SpanglerCraig J. Wilson, Harry L. Anderson
Department of Physics, Montana State University, Bozeman, MTSensopath Technologies, Inc., Bozeman, MT
MPA Technologies, Inc., Bozeman, MTDepartment of Chemistry, University of Oxford, Mansfield, Oxford,
UK
Nikolay Makarov,Department of Physics, Montana State University
Outline
• Motivation
• Experiments
• Calculations
• Conclusions
Motivation: Why to predict?
Which one is better? Why?
HH
N
N
N
N
N
N
N
N
NH
N
NH N
N
N
N
N
Cl
C l C l
C l
N
NC
N
NC
N
NC
N
NC
N HN
NNHCl
Cl
N
N
N
N HN
NNH
N
N
Motivation: What can quantum chemistry do?
2
222
2
423
2 gi
ee
nc
f
m mmg
mgfmjg
0, E0, 0
1, E1, 1
m, Em, m
?2?,,, gE mkjii
C. Katan, S. Tretiak, M.H.V. Werts, A.J. Bain, R.J. Marsh, N. Leonczek, N. Nicolaou, E. Badaeva, O. Mongin, M. Blanchard-Desce,“Two-photon transitions in quadrupolar and branched chromophores: experiment and theory”, J. Phys. Chem. B 2007, 111, 9468-9483
• We show that the perturbation theory applied for two-level system quantitatively predicts the 2PA cross sections in dipolar molecules, provided that the necessary molecular parameters such as transition- and permanent dipole moments are independently measured.• In most cases, the discrepancy between theory and experiment was less than 20%, and always less than 50%. This is the first time that such direct quantitative correspondence is demonstrated for a wide range of dipolar molecules.• The overall significance of this work demonstrates a practical way how a set of relatively straightforward linear spectroscopic measurements can be used to study and predict nonlinear 2PA properties.