Book contents
- Frontmatter
- Contents
- 1 Introduction
- 2 Designing multiple pulse experiments
- 3 Mukamelian or perturbative expansion of the density matrix
- 4 Basics of 2D IR spectroscopy
- 5 Polarization control
- 6 Molecular couplings
- 7 2D IR lineshapes
- 8 Dynamic cross-peaks
- 9 Experimental designs, data collection and processing
- 10 Simple simulation strategies
- 11 Pulse sequence design: Some examples
- Appendix A Fourier transformation
- Appendix B The ladder operator formalism
- Appendix C Units and physical constants
- Appendix D Legendre polynomials and spherical harmonics
- Appendix E Recommended reading
- References
- Index
1 - Introduction
Published online by Cambridge University Press: 05 August 2012
- Frontmatter
- Contents
- 1 Introduction
- 2 Designing multiple pulse experiments
- 3 Mukamelian or perturbative expansion of the density matrix
- 4 Basics of 2D IR spectroscopy
- 5 Polarization control
- 6 Molecular couplings
- 7 2D IR lineshapes
- 8 Dynamic cross-peaks
- 9 Experimental designs, data collection and processing
- 10 Simple simulation strategies
- 11 Pulse sequence design: Some examples
- Appendix A Fourier transformation
- Appendix B The ladder operator formalism
- Appendix C Units and physical constants
- Appendix D Legendre polynomials and spherical harmonics
- Appendix E Recommended reading
- References
- Index
Summary
Scientific questions encompassing both the structure and dynamics of molecular systems are difficult to address. Take the case of a folding protein, a fluctuating solvent environment or a transferring electron. In each case, one wants to know the reaction pathway, which requires time-resolving the structure. But the range of time-scales can easily span from femtoseconds to hours, depending on the system. If time-scales are slow, then exquisite structural information can be obtained with nuclear magnetic resonance (NMR) spectroscopy. If time-scales are fast, then fluorescence or absorption spectroscopy can be used to probe the dynamics with a corresponding tradeoff in structural resolution. In between, there is an experimental gap in time- and structure-resolution. The gap is even broader when the dynamics takes place in a confined environment like a membrane, which makes it especially difficult to apply many standard structural techniques.
2D IR spectroscopy is being used to fill this gap because it provides bond specific structural resolution and can be applied to all relevant time-scales (see these Special Issues [96, 143, 144] and review articles [19, 26, 27, 56, 63, 67, 80, 87, 103, 108, 142, 165, 191, 200, 208]). It has the fast time-resolution to follow electron transfer and solvent dynamics, for instance, or can be applied in a “snapshot ” mode to study kinetics to arbitrarily long time-scales. Moreover, it can be applied to any type of sample, including dilute solutions, solid-state systems, or membranes.
- Type
- Chapter
- Information
- Concepts and Methods of 2D Infrared Spectroscopy , pp. 1 - 17Publisher: Cambridge University PressPrint publication year: 2011