10
1 Introduction
Two frequencies of the O-H stretching vibrations of an isolated water molecule
are 3657 cm −1 (symmetric stretching mode) and 3756 cm −1 (anti-symmetric
stretching mode) [5]. In the SFG spectrum (left panel) of Fig. 1.1, these frequencies
are located in the sharp band at about 3700 cm −1 , which is assigned to the free O-H
moieties. In the infrared spectrum (right panel) of Fig. 1.1, they are located at the
high-frequency edge of the broad band in 3000 ∼ 3700 cm −1 .
It is well known that the hydrogen bond formation gives rise to substantial red
shift of O-H frequency, and that the amount of the red shift reflects the strength of
the hydrogen bonds [9, 13, 15]. In the SFG spectrum (left panel), the frequency of
the free O-H vibration at the water surface retains the original frequency of isolated
water molecules since it is free from the hydrogen bond.
Bibliography
1. Bain CD (1999) Non-linear optical techniques in modern characterization methods of surfactant systems. Marcel Dekker, New York
2. Bertie JE, Lan Z (1996) Infrared intensities of liquids XX: the intensity of the OH stretching
band of liquid water revisited. Appl Spectrosc 50:1047–1057
3. Boyd RW (2003) Nonlinear optics. Academic, Amsterdam
4. Buck M, Himmelhaus M (2001) Vibrational spectroscopy of interfaces by infrared-visible sum
frequency generation. J Vac Sci Technol A 19:2717–2736
5. Haynes WM, editor (2012) CRC Handbook of chemistry and physics, 93rd edn. CRC Press,
Boca Raton
6. Hirose C, Akamatsu A, Domen K (1992) Formulas for the analysis of surface sum-frequency
generation spectrum by CH stretching modes of methyl and methylene groups. J Chem Phys
96:997–1004
7. Hirose C, Hiroyoshi Y, Akamatsu N, Domen K (1993) Orientation analysis by simulation of
vibrational sum frequency generation spectrum: CH stretching bands of the methyl group. J
Phys Chem 97:10064–10069
8. Jackson JD (1998) Classical electrodynamics. Wiley, New York
9. Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, Oxford
10. Lambert AG, Davies PB, Neivandt DJ (2005) Implementing the theory of sum frequency
generation vibrational spectroscopy: a tutorial review. Appl Spec Rev 40:103–145
11. McQuarrie DA, Simon JD (1997) Physical chemistry – a molecular approach. University of
Science Books, Sausalito
12. Miranda PB, Shen YR (1999) Liquid interfaces: a study by sum-frequency vibrational
spectroscopy. J Phys Chem B 103:3292–3307
13. Morita A, Hynes JT (2000) A theoretical analysis of the sum frequency generation spectrum
of the water surface. Chem Phys 258:371–390
14. Mukamel S (1995) Principles of nonlinear optical spectroscopy. Oxford University Press, New
York
15. Pimentel GC, McClellan AL (1960) The hydrogen bond. W. H. Freemann, San Francisco
16. Raymond EA, Tarbuck TL, Brown MG, Richmond GL (2003) Hydrogen-bonding interactions at the vapor/water interface investigated by vibrational sum-frequency spectroscopy of
HOD/H 2 O/D 2 O mixtures and molecular dynamics simulations. J Phys Chem B 107:546–556
17. Shen YR (1984) The principle of nonlinear optics. Wiley, New York
18. Shen YR (1994) Surface spectroscopy by nonlinear optics. In: Hänsch T, Inguscio M (eds)
Frontiers in laser spectroscopy. Proceedings of international school of physics, vol CXX. North
Holland, Amsterdam, pp 139–165
1 Introduction
Two frequencies of the O-H stretching vibrations of an isolated water molecule
are 3657 cm −1 (symmetric stretching mode) and 3756 cm −1 (anti-symmetric
stretching mode) [5]. In the SFG spectrum (left panel) of Fig. 1.1, these frequencies
are located in the sharp band at about 3700 cm −1 , which is assigned to the free O-H
moieties. In the infrared spectrum (right panel) of Fig. 1.1, they are located at the
high-frequency edge of the broad band in 3000 ∼ 3700 cm −1 .
It is well known that the hydrogen bond formation gives rise to substantial red
shift of O-H frequency, and that the amount of the red shift reflects the strength of
the hydrogen bonds [9, 13, 15]. In the SFG spectrum (left panel), the frequency of
the free O-H vibration at the water surface retains the original frequency of isolated
water molecules since it is free from the hydrogen bond.
Bibliography
1. Bain CD (1999) Non-linear optical techniques in modern characterization methods of surfactant systems. Marcel Dekker, New York
2. Bertie JE, Lan Z (1996) Infrared intensities of liquids XX: the intensity of the OH stretching
band of liquid water revisited. Appl Spectrosc 50:1047–1057
3. Boyd RW (2003) Nonlinear optics. Academic, Amsterdam
4. Buck M, Himmelhaus M (2001) Vibrational spectroscopy of interfaces by infrared-visible sum
frequency generation. J Vac Sci Technol A 19:2717–2736
5. Haynes WM, editor (2012) CRC Handbook of chemistry and physics, 93rd edn. CRC Press,
Boca Raton
6. Hirose C, Akamatsu A, Domen K (1992) Formulas for the analysis of surface sum-frequency
generation spectrum by CH stretching modes of methyl and methylene groups. J Chem Phys
96:997–1004
7. Hirose C, Hiroyoshi Y, Akamatsu N, Domen K (1993) Orientation analysis by simulation of
vibrational sum frequency generation spectrum: CH stretching bands of the methyl group. J
Phys Chem 97:10064–10069
8. Jackson JD (1998) Classical electrodynamics. Wiley, New York
9. Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, Oxford
10. Lambert AG, Davies PB, Neivandt DJ (2005) Implementing the theory of sum frequency
generation vibrational spectroscopy: a tutorial review. Appl Spec Rev 40:103–145
11. McQuarrie DA, Simon JD (1997) Physical chemistry – a molecular approach. University of
Science Books, Sausalito
12. Miranda PB, Shen YR (1999) Liquid interfaces: a study by sum-frequency vibrational
spectroscopy. J Phys Chem B 103:3292–3307
13. Morita A, Hynes JT (2000) A theoretical analysis of the sum frequency generation spectrum
of the water surface. Chem Phys 258:371–390
14. Mukamel S (1995) Principles of nonlinear optical spectroscopy. Oxford University Press, New
York
15. Pimentel GC, McClellan AL (1960) The hydrogen bond. W. H. Freemann, San Francisco
16. Raymond EA, Tarbuck TL, Brown MG, Richmond GL (2003) Hydrogen-bonding interactions at the vapor/water interface investigated by vibrational sum-frequency spectroscopy of
HOD/H 2 O/D 2 O mixtures and molecular dynamics simulations. J Phys Chem B 107:546–556
17. Shen YR (1984) The principle of nonlinear optics. Wiley, New York
18. Shen YR (1994) Surface spectroscopy by nonlinear optics. In: Hänsch T, Inguscio M (eds)
Frontiers in laser spectroscopy. Proceedings of international school of physics, vol CXX. North
Holland, Amsterdam, pp 139–165