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Shakespeare - Hamlet - 1600 2D or not 2D??? Han-sur-Lesse 2009 - - - PowerPoint PPT Presentation
Shakespeare - Hamlet - 1600 2D or not 2D??? Han-sur-Lesse 2009 - - - PowerPoint PPT Presentation
Multi-dimensional spectroscopy Thomas la Cour Jansen Zernike Institute for Advanced Materials University of Groningen Shakespeare - Hamlet - 1600 2D or not 2D??? Han-sur-Lesse 2009 - Thomas la Cour Jansen Outline Why do multi-dimensional
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Outline
Why do multi-dimensional spectroscopy? Examples from the real world. Phenomena: Spectral diffusion Rotation Population transfer Structure: Peptides/Proteins Dynamics: Chemical exchange Water
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Motional narrowing
Time Frequency
cos(ωt) exp(−t2/τ 2)
cos(ωt) exp(−t/τ) Kubo, J. Math. Phys., 4:174 (1963)
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Spectral diffusion
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Rotational dynamics
Anisotropy:
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Peptides/Proteins
- Amide CO stretch in every
peptide unit.
- Coupling depends on the
conformation
- Probe global structure and it’s
dynamics.
- Require treatment of the local
environment
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Proteins/Peptides
Tokmakoff et al. J. Am. Chem. Soc. 126:7981 (2004)
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Proteins/Peptides
Dijkstra and Knoester, J. Phys. Chem. B 109:9787 (2005)
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Peptides/Proteins
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Peptides/Proteins
Jansen and Knoester, Biophys. J. 94:1818 (2008)
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Chemical Exchange
Structural rearrangement in Fe(CO)5
Harris et al. Science 319:1820 (2008)
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Chemical Exchange
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Chemical Exchange
Tokmakoff, Cho et al. J. Phys. Chem. B 109:11016 (2005)
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Three-dimensional infrared spectroscopy
- S. Garrett-Roe and P. Hamm, Acc. Chem. Res. 42:1412 (2009)
CO2 dissolved in water
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Han-sur-Lesse 2009 - Thomas la Cour Jansen
Bulk water
Miller et al., Nature, 434:199 (2005) Woutersen and Bakker, Nature, 402:507 (1999)
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