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111:738–748
29. Ishiyama T, Morita A (2009) Analysis of anisotropic local field in sum frequency generation
spectroscopy with the charge response kernel water model. J Chem Phys 131:244714
30. Ishiyama T, Morita A (2011) Molecular dynamics simulation of sum frequency generation
spectra of aqueous sulfuric acid solution. J Phys Chem C 115:13704–13716
31. Ishiyama T, Morita A (2014) A direct evidence of vibrationally delocalized response at ice
surface. J Chem Phys 141:18C503
32. Ishiyama T, Morita A (2017) Computational analysis of vibrational sum frequency generation
spectroscopy. Annu Rev Phys Chem 68:355–377
33. 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
34. Ishiyama T, Sato Y, Morita A (2012) Interfacial structures and vibrational spectra
at liquid/liquid boundaries: molecular dynamics study of water/carbon tetrachloride and
water/1,2-dichloroethane interfaces. J Phys Chem C 116:21439–21446
35. Ishiyama T, Takahashi H, Morita A (2012) Origin of vibrational spectroscopic response at
ice surface. J Phys Chem Lett 3:3001–3006
36. Ishiyama T, Imamura T, Morita A (2014) Theoretical studies of structures and vibrational
sum frequency generation spectra at aqueous interfaces. Chem Rev 114:8447–8470
37. Ishiyama T, Terada D, Morita A (2016) Hydrogen-bonding structure at zwitterionic
lipid/water interface. J Phys Chem Lett 7:216–220
38. Ishiyama T, Shirai S, Okumura T, Morita A (2018) Molecular dynamics study of structure and
vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl 2 solution interfaces. J
Chem Phys 148:222801
39. Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, Oxford
40. Ji N, Ostroverkhov V, Tian CS, Shen YR (2008) Characterization of vibrational resonances
of water-vapor interfaces by phase-sensitive sum-frequency spectroscopy. Phys Rev Lett
100:096102
41. Johnson CM, Baldelli S (2014) Vibrational sum frequency spectroscopy studies of the
influence of solutes and phospholipids at vapor/water interfaces relevant to biological and
environmental systems. Chem Rev 114:8416–8446
42. Jungwirth P, Tobias DJ (2001) Molecular structure of salt solutions: a new view of the
interface with implications for heterogeneous atmospheric chemistry. J Phys Chem B
105:10468–10472
43. Jungwirth P, Finlayson-Pitts BJ, Tobias DJ (eds) (2006) Structure and chemistry at aqueous
interfaces. Chem Rev 106:1137–1539
44. Jungwirth P et al (2008) Water – from interfaces to the bulk. Faraday Discuss 141:1–488
45. Kawaguchi T, Shiratori K, Henmi Y, Ishiyama T, Morita A (2012) Mechanisms of
sum frequency generation from liquid benzene: symmetry breaking at interface and bulk
contribution. J Phys Chem C 116:13169–13182
46. Khatib R, Hasegawa T, Sulpizi M, Backus EHG, Bonn M, Nagata Y (2016) Molecular
dynamics simulations of SFG librational modes spectra of water at the water-air interface.
J Phys Chem C 120:18665–18673
47. Kundu A, Tanaka S, Ishiyama T, Ahmed M, Inoue K, Nihonyanagi S, Sawai H, Yamaguchi
S, Morita A, Tahara T (2016) Bend vibration of surface water investigated by heterodynedetected sum frequency generation and theoretical study: dominant role of quadrupole. J Phys
Chem Lett 7:2597–2601
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interfaces. Faraday Discuss 129:1–21, and the papers in this issue
49. Liu D, Ma G, Levering LM, Allen HC (2004) Vibrational spectroscopy of aqueous sodium
halide solutions and air-liquid interfaces: observation of increased interfacial depth. J Phys
Chem B 108:2252–2260
243
28. Ishiyama T, Morita A (2007) Molecular dynamics study of gas-liquid aqueous sodium halide
interfaces II. Analysis of vibrational sum frequency generation spectra. J Phys Chem C
111:738–748
29. Ishiyama T, Morita A (2009) Analysis of anisotropic local field in sum frequency generation
spectroscopy with the charge response kernel water model. J Chem Phys 131:244714
30. Ishiyama T, Morita A (2011) Molecular dynamics simulation of sum frequency generation
spectra of aqueous sulfuric acid solution. J Phys Chem C 115:13704–13716
31. Ishiyama T, Morita A (2014) A direct evidence of vibrationally delocalized response at ice
surface. J Chem Phys 141:18C503
32. Ishiyama T, Morita A (2017) Computational analysis of vibrational sum frequency generation
spectroscopy. Annu Rev Phys Chem 68:355–377
33. 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
34. Ishiyama T, Sato Y, Morita A (2012) Interfacial structures and vibrational spectra
at liquid/liquid boundaries: molecular dynamics study of water/carbon tetrachloride and
water/1,2-dichloroethane interfaces. J Phys Chem C 116:21439–21446
35. Ishiyama T, Takahashi H, Morita A (2012) Origin of vibrational spectroscopic response at
ice surface. J Phys Chem Lett 3:3001–3006
36. Ishiyama T, Imamura T, Morita A (2014) Theoretical studies of structures and vibrational
sum frequency generation spectra at aqueous interfaces. Chem Rev 114:8447–8470
37. Ishiyama T, Terada D, Morita A (2016) Hydrogen-bonding structure at zwitterionic
lipid/water interface. J Phys Chem Lett 7:216–220
38. Ishiyama T, Shirai S, Okumura T, Morita A (2018) Molecular dynamics study of structure and
vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl 2 solution interfaces. J
Chem Phys 148:222801
39. Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, Oxford
40. Ji N, Ostroverkhov V, Tian CS, Shen YR (2008) Characterization of vibrational resonances
of water-vapor interfaces by phase-sensitive sum-frequency spectroscopy. Phys Rev Lett
100:096102
41. Johnson CM, Baldelli S (2014) Vibrational sum frequency spectroscopy studies of the
influence of solutes and phospholipids at vapor/water interfaces relevant to biological and
environmental systems. Chem Rev 114:8416–8446
42. Jungwirth P, Tobias DJ (2001) Molecular structure of salt solutions: a new view of the
interface with implications for heterogeneous atmospheric chemistry. J Phys Chem B
105:10468–10472
43. Jungwirth P, Finlayson-Pitts BJ, Tobias DJ (eds) (2006) Structure and chemistry at aqueous
interfaces. Chem Rev 106:1137–1539
44. Jungwirth P et al (2008) Water – from interfaces to the bulk. Faraday Discuss 141:1–488
45. Kawaguchi T, Shiratori K, Henmi Y, Ishiyama T, Morita A (2012) Mechanisms of
sum frequency generation from liquid benzene: symmetry breaking at interface and bulk
contribution. J Phys Chem C 116:13169–13182
46. Khatib R, Hasegawa T, Sulpizi M, Backus EHG, Bonn M, Nagata Y (2016) Molecular
dynamics simulations of SFG librational modes spectra of water at the water-air interface.
J Phys Chem C 120:18665–18673
47. Kundu A, Tanaka S, Ishiyama T, Ahmed M, Inoue K, Nihonyanagi S, Sawai H, Yamaguchi
S, Morita A, Tahara T (2016) Bend vibration of surface water investigated by heterodynedetected sum frequency generation and theoretical study: dominant role of quadrupole. J Phys
Chem Lett 7:2597–2601
48. Leich MA, Richmond GL (2005) Recent experimental advances in studies of liquid/liquid
interfaces. Faraday Discuss 129:1–21, and the papers in this issue
49. Liu D, Ma G, Levering LM, Allen HC (2004) Vibrational spectroscopy of aqueous sodium
halide solutions and air-liquid interfaces: observation of increased interfacial depth. J Phys
Chem B 108:2252–2260