Bibliography
263
biguous comparison with the calculated χ (2) spectra. This progress has indeed a
substantial impact on the collaboration of experiment and theory. We have discussed
a number of such examples in the preceding chapters. Recent advancements of the
experimental techniques worth noting should include
• heterodyne SFG
• time-resolved SFG, 2D-SFG
• high-resolution SFG
• sophisticated analysis of polarization
• chiral SFG
• double resonance SFG
• SFG microscope, imaging
• SFG scattering
. . .
These advancements have been achieved by the efforts of various experimental
researchers. We could not detail these aspects in this book. Interested readers in
these experimental aspects should refer to a recent excellent textbook by Shen [10]
and the references therein.
In the future advances of SFG spectroscopy, one of the largest challenges lies
in the unambiguous and comprehensive analysis of observed spectra. Although it is
widely recognized that the SFG spectroscopy involves rich microscopic information
on interfaces, it is not often straightforward to carry out precise assignment at
the molecular level. Current experimental analysis of the observed spectra largely
depends on empirical spectral fitting for assignment of band structure, though such
empirical fitting suffers from large ambiguities and fitted bands are often hard to
be interpreted. Reliable analysis methods with sound theoretical basis will help
exploiting the potential of the surface nonlinear spectroscopy. In the next stage
of analysis, detailed comparison of the spectra with molecular simulation will
be widely utilized. Collaboration of experiment and theory will be of increasing
importance in the surface nonlinear spectroscopy [2, 3, 6–9, 11, 13].
Bibliography
1. Auer BM, Skinner JL (2008) Vibrational sum-frequency spectroscopy of the liquid/vapor
interface for dilute HOD in D 2 O. J Chem Phys 129:214705
2. Ho J, Psciuk BT, Chase HM, Rudshteyn B, Upshur MA, Fu L, Thomson RJ, Wang H-F, Geiger
FM, Batista VS (2016) Sum frequency generation spectroscopy and molecular dynamics
simulations reveal a rotationally fluid adsorption state of alpha-pinene on silica. J Phys Chem
C 120:12578–12589
3. Ishiyama T, Morita A, Miyamae T (2011) Surface structure of sulfuric acid solution relevant
to sulfate aerosol: molecular dynamics simulation combined with sum frequency generation
measurement. Phys Chem Chem Phys 13:20965–20973
4. Medders GR, Paesani F (2016) Dissecting the molecular structure of the air/water interface
from quantum simulations of the sum-frequency generation spectrum. J Am Chem Soc
138:3912–3919
263
biguous comparison with the calculated χ (2) spectra. This progress has indeed a
substantial impact on the collaboration of experiment and theory. We have discussed
a number of such examples in the preceding chapters. Recent advancements of the
experimental techniques worth noting should include
• heterodyne SFG
• time-resolved SFG, 2D-SFG
• high-resolution SFG
• sophisticated analysis of polarization
• chiral SFG
• double resonance SFG
• SFG microscope, imaging
• SFG scattering
. . .
These advancements have been achieved by the efforts of various experimental
researchers. We could not detail these aspects in this book. Interested readers in
these experimental aspects should refer to a recent excellent textbook by Shen [10]
and the references therein.
In the future advances of SFG spectroscopy, one of the largest challenges lies
in the unambiguous and comprehensive analysis of observed spectra. Although it is
widely recognized that the SFG spectroscopy involves rich microscopic information
on interfaces, it is not often straightforward to carry out precise assignment at
the molecular level. Current experimental analysis of the observed spectra largely
depends on empirical spectral fitting for assignment of band structure, though such
empirical fitting suffers from large ambiguities and fitted bands are often hard to
be interpreted. Reliable analysis methods with sound theoretical basis will help
exploiting the potential of the surface nonlinear spectroscopy. In the next stage
of analysis, detailed comparison of the spectra with molecular simulation will
be widely utilized. Collaboration of experiment and theory will be of increasing
importance in the surface nonlinear spectroscopy [2, 3, 6–9, 11, 13].
Bibliography
1. Auer BM, Skinner JL (2008) Vibrational sum-frequency spectroscopy of the liquid/vapor
interface for dilute HOD in D 2 O. J Chem Phys 129:214705
2. Ho J, Psciuk BT, Chase HM, Rudshteyn B, Upshur MA, Fu L, Thomson RJ, Wang H-F, Geiger
FM, Batista VS (2016) Sum frequency generation spectroscopy and molecular dynamics
simulations reveal a rotationally fluid adsorption state of alpha-pinene on silica. J Phys Chem
C 120:12578–12589
3. Ishiyama T, Morita A, Miyamae T (2011) Surface structure of sulfuric acid solution relevant
to sulfate aerosol: molecular dynamics simulation combined with sum frequency generation
measurement. Phys Chem Chem Phys 13:20965–20973
4. Medders GR, Paesani F (2016) Dissecting the molecular structure of the air/water interface
from quantum simulations of the sum-frequency generation spectrum. J Am Chem Soc
138:3912–3919