메뉴 건너뛰기




Volumn 4, Issue 11, 2013, Pages 1850-1855

Ionization of nitric acid on crystalline ice: The role of defects and collective proton movement

Author keywords

collective; eigen; grothuss; ice; ionization; nitric acid; surface

Indexed keywords

HYDROGEN BONDS; IONIZATION; IONS; MOLECULAR DYNAMICS; NITRIC ACID; SURFACES;

EID: 84879224317     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz400531q     Document Type: Article
Times cited : (25)

References (53)
  • 3
    • 84879194732 scopus 로고    scopus 로고
    • The Impact of Cloud Particle Gravitational Settling on Soluble Trace Gas Distributions
    • Lawrence, M.; Crutzen, P. The Impact of Cloud Particle Gravitational Settling on Soluble Trace Gas Distributions Tellus, Ser. B 2011, 50
    • (2011) Tellus, Ser. B , pp. 50
    • Lawrence, M.1    Crutzen, P.2
  • 4
    • 0037199949 scopus 로고    scopus 로고
    • Air-Snow Interactions and Atmospheric Chemistry
    • Dominé, F.; Shepson, P. B. Air-Snow Interactions and Atmospheric Chemistry Science 2002, 297, 1506-1510
    • (2002) Science , vol.297 , pp. 1506-1510
    • Dominé, F.1    Shepson, P.B.2
  • 5
    • 0028862531 scopus 로고
    • Nitric Acid Adsorption on Ice: A Preliminary Study
    • Laird, S. K.; Sommerfeld, R. A. Nitric Acid Adsorption on Ice: A Preliminary Study Geophys. Res. Lett. 1995, 22, 921-923
    • (1995) Geophys. Res. Lett. , vol.22 , pp. 921-923
    • Laird, S.K.1    Sommerfeld, R.A.2
  • 7
    • 0037289741 scopus 로고    scopus 로고
    • Laboratory Studies of Potential Mechanisms of Renoxification of Tropospheric Nitric Acid
    • Rivera-Figueroa, A. M.; Sumner, A. L.; Finlayson-Pitts, B. J. Laboratory Studies of Potential Mechanisms of Renoxification of Tropospheric Nitric Acid Environ. Sci. Technol. 2003, 37, 548-554
    • (2003) Environ. Sci. Technol. , vol.37 , pp. 548-554
    • Rivera-Figueroa, A.M.1    Sumner, A.L.2    Finlayson-Pitts, B.J.3
  • 8
    • 33751220804 scopus 로고    scopus 로고
    • Physicochemical Properties of Nitrate Aerosols: Implications for the Atmosphere
    • PMID: 17048810.
    • Gibson, E. R.; Hudson, P. K.; Grassian, V. H. Physicochemical Properties of Nitrate Aerosols: Implications for the Atmosphere J. Phys. Chem. A 2006, 110, 11785-11799 PMID: 17048810.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 11785-11799
    • Gibson, E.R.1    Hudson, P.K.2    Grassian, V.H.3
  • 9
    • 0022846515 scopus 로고
    • Influence of Cirrus Clouds on Weather and Climate Processes: A Global Perspective
    • Liou, K.-N. Influence of Cirrus Clouds on Weather and Climate Processes: A Global Perspective Mon. Weather Rev. 1986, 114, 1167-1199
    • (1986) Mon. Weather Rev. , vol.114 , pp. 1167-1199
    • Liou, K.-N.1
  • 10
    • 0030368905 scopus 로고    scopus 로고
    • A 6-Year Climatology of Cloud Occurrence Frequency from Stratospheric Aerosol and Gas Experiment II Observations (1985-1990)
    • Wang, P.-H.; Minnis, P.; McCormick, M. P.; Kent, G. S.; Skeens, K. M. A 6-Year Climatology of Cloud Occurrence Frequency from Stratospheric Aerosol and Gas Experiment II Observations (1985-1990) J. Geophys. Res.: Atmos. 1996, 101, 29407-29429
    • (1996) J. Geophys. Res.: Atmos. , vol.101 , pp. 29407-29429
    • Wang, P.-H.1    Minnis, P.2    McCormick, M.P.3    Kent, G.S.4    Skeens, K.M.5
  • 11
    • 0033011825 scopus 로고    scopus 로고
    • Eight Years of High Cloud Statistics Using HIRS
    • Wylie, D. P.; Menzel, W. P. Eight Years of High Cloud Statistics Using HIRS J. Clim. 1999, 12, 170-184
    • (1999) J. Clim. , vol.12 , pp. 170-184
    • Wylie, D.P.1    Menzel, W.P.2
  • 12
    • 0031153975 scopus 로고    scopus 로고
    • 3 with Water-Ice Surfaces at Temperatures of the Free Troposphere
    • 3 with Water-Ice Surfaces at Temperatures of the Free Troposphere Geophys. Res. Lett. 1997, 24, 1479-1482
    • (1997) Geophys. Res. Lett. , vol.24 , pp. 1479-1482
    • Abbatt, J.P.D.1
  • 15
    • 0037167861 scopus 로고    scopus 로고
    • Uptake of Nitric Acid on Ice at Tropospheric Temperatures: Implications for Cirrus Clouds
    • Hudson, P. K.; Shilling, J. E.; Tolbert, M. A.; Toon, O. B. Uptake of Nitric Acid on Ice at Tropospheric Temperatures: Implications for Cirrus Clouds J. Phys. Chem. A 2002, 106, 9874-9882
    • (2002) J. Phys. Chem. A , vol.106 , pp. 9874-9882
    • Hudson, P.K.1    Shilling, J.E.2    Tolbert, M.A.3    Toon, O.B.4
  • 18
    • 24044480060 scopus 로고    scopus 로고
    • Uptake of Gas-Phase Nitric Acid to Ice at Low Partial Pressures: Evidence for Unsaturated Surface Coverage
    • Ullerstam, M.; Thornberry, T.; Abbatt, J. P. D. Uptake of Gas-Phase Nitric Acid to Ice at Low Partial Pressures: Evidence for Unsaturated Surface Coverage Faraday Discuss. 2005, 130, 211-226
    • (2005) Faraday Discuss. , vol.130 , pp. 211-226
    • Ullerstam, M.1    Thornberry, T.2    Abbatt, J.P.D.3
  • 21
    • 0033452279 scopus 로고    scopus 로고
    • Stratospheric Ozone Depletion: A Review of Concepts and History
    • Solomon, S. Stratospheric Ozone Depletion: A Review of Concepts and History Rev. Geophys. 1999, 37, 275-316
    • (1999) Rev. Geophys. , vol.37 , pp. 275-316
    • Solomon, S.1
  • 22
  • 23
    • 84870776350 scopus 로고    scopus 로고
    • X Reactions on Aqueous Surfaces with Gaseous HCl: Formation of a Potential Precursor to Atmospheric Cl Atoms
    • X Reactions on Aqueous Surfaces with Gaseous HCl: Formation of a Potential Precursor to Atmospheric Cl Atoms J. Phys. Chem. Lett. 2012, 3, 3405-3410
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 3405-3410
    • Hammerich, A.D.1    Finlayson-Pitts, B.J.2    Gerber, R.B.3
  • 25
    • 24344462271 scopus 로고    scopus 로고
    • 2O over Ice in the Range 179 to 208 K: A Quartz Crystal Microbalance Study
    • PMID: 16834079.
    • 2O over Ice in the Range 179 to 208 K: A Quartz Crystal Microbalance Study J. Phys. Chem. A 2005, 109, 7151-7165 PMID: 16834079.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 7151-7165
    • Delval, C.1    Rossi, M.J.2
  • 26
    • 33646461133 scopus 로고    scopus 로고
    • The Uptake of Acidic Gases on Ice
    • Huthwelker, T.; Ammann, M.; Peter, T. The Uptake of Acidic Gases on Ice Chem. Rev. 2006, 106, 1375-1444
    • (2006) Chem. Rev. , vol.106 , pp. 1375-1444
    • Huthwelker, T.1    Ammann, M.2    Peter, T.3
  • 27
    • 0346378569 scopus 로고
    • Infrared Spectra of Nitric and Hydrochloric Acid Hydrate Thin Films
    • Ritzhaupt, G.; Devlin, J. P. Infrared Spectra of Nitric and Hydrochloric Acid Hydrate Thin Films J. Phys. Chem. 1991, 95, 90-95
    • (1991) J. Phys. Chem. , vol.95 , pp. 90-95
    • Ritzhaupt, G.1    Devlin, J.P.2
  • 28
    • 42949174544 scopus 로고    scopus 로고
    • In; Goodsite, M. E. Johnson, M. S. Advances in Quantum Chemistry Series; Academic Press: London, Vol.
    • Bianco, R.; Wang, S.; Hynes, J. T. In Applications of Theoretical Methods to Atmospheric Science; Goodsite, M. E.; Johnson, M. S., Eds.; Advances in Quantum Chemistry Series; Academic Press: London, 2008; Vol. 55; pp 387-405.
    • (2008) Applications of Theoretical Methods to Atmospheric Science , vol.55 , pp. 387-405
    • Bianco, R.1    Wang, S.2    Hynes, J.T.3
  • 31
    • 2442449118 scopus 로고    scopus 로고
    • + Reaction at the Surface of Aqueous Aerosols
    • + Reaction at the Surface of Aqueous Aerosols Theor. Chem. Acc. 2004, 111, 182-187
    • (2004) Theor. Chem. Acc. , vol.111 , pp. 182-187
    • Bianco, R.1    Hynes, J.T.2
  • 33
    • 33644977001 scopus 로고    scopus 로고
    • Heterogeneous Reactions Important in Atmospheric Ozone Depletion: A Theoretical Perspective
    • PMID: 16489736.
    • Bianco, R.; Hynes, J. T. Heterogeneous Reactions Important in Atmospheric Ozone Depletion: A Theoretical Perspective Acc. Chem. Res. 2006, 39, 159-165 PMID: 16489736.
    • (2006) Acc. Chem. Res. , vol.39 , pp. 159-165
    • Bianco, R.1    Hynes, J.T.2
  • 34
    • 36049029031 scopus 로고    scopus 로고
    • Theoretical Study of the Dissociation of Nitric Acid at a Model Aqueous Surface
    • Bianco, R.; Wang, S.; Hynes, J. T. Theoretical Study of the Dissociation of Nitric Acid at a Model Aqueous Surface J. Phys. Chem. A 2007, 111, 11033-11042
    • (2007) J. Phys. Chem. A , vol.111 , pp. 11033-11042
    • Bianco, R.1    Wang, S.2    Hynes, J.T.3
  • 35
    • 54249155185 scopus 로고    scopus 로고
    • - at a Model Aqueous Surface. A Theoretical Study
    • PMID: 18714961.
    • - at a Model Aqueous Surface. A Theoretical Study J. Phys. Chem. A 2008, 112, 9467-9476 PMID: 18714961.
    • (2008) J. Phys. Chem. A , vol.112 , pp. 9467-9476
    • Bianco, R.1    Wang, S.2    Hynes, J.T.3
  • 36
    • 63849327980 scopus 로고    scopus 로고
    • Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car-Parrinello Molecular Dynamics
    • PMID: 19173580.
    • Wang, S.; Bianco, R.; Hynes, J. T. Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car-Parrinello Molecular Dynamics J. Phys. Chem. A 2009, 113, 1295-1307 PMID: 19173580.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 1295-1307
    • Wang, S.1    Bianco, R.2    Hynes, J.T.3
  • 38
    • 35848959049 scopus 로고    scopus 로고
    • At the Water's Edge: Nitric Acid as a Weak Acid
    • PMID: 17915872.
    • Shamay, E. S.; Buch, V.; Parrinello, M.; Richmond, G. L. At the Water's Edge: Nitric Acid as a Weak Acid J. Am. Chem. Soc. 2007, 129, 12910-12911 PMID: 17915872.
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 12910-12911
    • Shamay, E.S.1    Buch, V.2    Parrinello, M.3    Richmond, G.L.4
  • 39
    • 4644343828 scopus 로고    scopus 로고
    • Erratum: "mechanism of Fast Proton Transfer in Ice: Potential Energy Surface and Reaction Coordinate Analyses" [J. Chem. Phys. [ 113 ], 9090 (2000)]
    • Kobayashi, C.; Saito, S.; Ohmine, I. Erratum: "Mechanism of Fast Proton Transfer in Ice: Potential Energy Surface and Reaction Coordinate Analyses" [J. Chem. Phys. [ 113 ], 9090 (2000)] J. Chem. Phys. 2001, 114, 1440-1440
    • (2001) J. Chem. Phys. , vol.114 , pp. 1440-1440
    • Kobayashi, C.1    Saito, S.2    Ohmine, I.3
  • 40
    • 0034318882 scopus 로고    scopus 로고
    • Mechanism of Fast Proton Transfer in Ice: Potential Energy Surface and Reaction Coordinate Analyses
    • Kobayashi, C.; Saito, S.; Ohmine, I. Mechanism of Fast Proton Transfer in Ice: Potential Energy Surface and Reaction Coordinate Analyses J. Chem. Phys. 2000, 113, 9090-9100
    • (2000) J. Chem. Phys. , vol.113 , pp. 9090-9100
    • Kobayashi, C.1    Saito, S.2    Ohmine, I.3
  • 41
    • 0001183787 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Hydrochloric Acid Ionization at the Surface of Stratospheric Ice
    • Gertner, B. J.; Hynes, J. T. Molecular Dynamics Simulation of Hydrochloric Acid Ionization at the Surface of Stratospheric Ice Science 1996, 271, 1563-1566
    • (1996) Science , vol.271 , pp. 1563-1566
    • Gertner, B.J.1    Hynes, J.T.2
  • 42
    • 33748657126 scopus 로고    scopus 로고
    • Influence of Surface Defects on the Adsorption of HCl on Ice
    • Clary, D. C.; Wang, L. Influence of Surface Defects on the Adsorption of HCl on Ice J. Chem. Soc., Faraday Trans. 1997, 93, 2763-2767
    • (1997) J. Chem. Soc., Faraday Trans. , vol.93 , pp. 2763-2767
    • Clary, D.C.1    Wang, L.2
  • 43
    • 0037118042 scopus 로고    scopus 로고
    • Discrete Stages in the Solvation and Ionization of Hydrogen Chloride Adsorbed on Ice Particles
    • Devlin, J. P.; Uras, N.; Sadlej, J.; Buch, V. Discrete Stages in the Solvation and Ionization of Hydrogen Chloride Adsorbed on Ice Particles Nature 2002, 417, 269-271
    • (2002) Nature , vol.417 , pp. 269-271
    • Devlin, J.P.1    Uras, N.2    Sadlej, J.3    Buch, V.4
  • 44
    • 0037126453 scopus 로고    scopus 로고
    • Solvation and Ionization Stages of HCl on Ice Nanocrystals
    • Buch, V.; Sadlej, J.; Aytemiz-Uras, N.; Devlin, J. P. Solvation and Ionization Stages of HCl on Ice Nanocrystals J. Phys. Chem. A 2002, 106, 9374-9389
    • (2002) J. Phys. Chem. A , vol.106 , pp. 9374-9389
    • Buch, V.1    Sadlej, J.2    Aytemiz-Uras, N.3    Devlin, J.P.4
  • 45
    • 0034835874 scopus 로고    scopus 로고
    • Ice-Catalyzed Ionization of Hydrochloric Acid
    • Bolton, K.; Pettersson, J. B. C. Ice-Catalyzed Ionization of Hydrochloric Acid J. Am. Chem. Soc. 2001, 123, 7360-7363
    • (2001) J. Am. Chem. Soc. , vol.123 , pp. 7360-7363
    • Bolton, K.1    Pettersson, J.B.C.2
  • 46
    • 0242558198 scopus 로고    scopus 로고
    • A QM/MM study of HCl Adsorption at Ice Surface Defect Sites
    • Kim; Bolton A QM/MM study of HCl Adsorption at Ice Surface Defect Sites J. Mol. Struct.: THEOCHEM 2003, 632, 145-156
    • (2003) J. Mol. Struct.: THEOCHEM , vol.632 , pp. 145-156
    • Kim1    Bolton2
  • 48
  • 50
    • 15344345714 scopus 로고    scopus 로고
    • Quickstep: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach
    • VandeVondele, J.; Krack, M.; Mohamed, F.; Parrinello, M.; Chassaing, T.; Hutter, J. Quickstep: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach Comput. Phys. Commun. 2005, 167, 103-128
    • (2005) Comput. Phys. Commun. , vol.167 , pp. 103-128
    • Vandevondele, J.1    Krack, M.2    Mohamed, F.3    Parrinello, M.4    Chassaing, T.5    Hutter, J.6
  • 51
    • 33748969865 scopus 로고    scopus 로고
    • Proton Transfer 200 Years after von Grotthuss: Insights from Ab Initio Simulations
    • Marx, D. Proton Transfer 200 Years after von Grotthuss: Insights from Ab Initio Simulations ChemPhysChem 2006, 7, 1848-1870
    • (2006) ChemPhysChem , vol.7 , pp. 1848-1870
    • Marx, D.1
  • 52
    • 0035828367 scopus 로고    scopus 로고
    • Mechanism of Proton Transfer in Ice. II. Hydration, Modes, and Transport
    • Kobayashi, C.; Saito, S.; Ohmine, I. Mechanism of Proton Transfer in Ice. II. Hydration, Modes, and Transport J. Chem. Phys. 2001, 115, 4742-4749
    • (2001) J. Chem. Phys. , vol.115 , pp. 4742-4749
    • Kobayashi, C.1    Saito, S.2    Ohmine, I.3
  • 53
    • 0033580290 scopus 로고    scopus 로고
    • The Nature of the Hydrated Excess Proton in Water
    • Marx, D.; Tuckerman, M. E.; Hutter, J.; Parrinello, M. The Nature of the Hydrated Excess Proton in Water Nature 1999, 397, 601-604
    • (1999) Nature , vol.397 , pp. 601
    • Marx, D.1    Tuckerman, M.E.2    Hutter, J.3    Parrinello, M.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.