메뉴 건너뛰기




Volumn 111, Issue 43, 2007, Pages 11033-11042

Theoretical study of the dissociation of nitric acid at a model aqueous surface

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SURFACE; POLARIZABLE WATERS; VIBRATIONAL BAND;

EID: 36049029031     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075054a     Document Type: Article
Times cited : (45)

References (91)
  • 16
    • 36048995756 scopus 로고    scopus 로고
    • It is an important point that nitric acid trihydrate NAT, which is often implicated in the stratosphere, is not thermodynamically stable under upper troposphere conditions, so that the formation of such a stable hydrate cannot be invoked as an explanation for the ready uptake
    • It is an important point that nitric acid trihydrate (NAT), which is often implicated in the stratosphere, is not thermodynamically stable under upper troposphere conditions, so that the formation of such a stable hydrate cannot be invoked as an explanation for the ready uptake.
  • 32
    • 0037158936 scopus 로고    scopus 로고
    • Al-Halabi, A.; Bianco, R.; Hynes. J. T. J. Phys. Chem. A 2002, 106, 7639. For HCl, see also ref 55.
    • Al-Halabi, A.; Bianco, R.; Hynes. J. T. J. Phys. Chem. A 2002, 106, 7639. For HCl, see also ref 55.
  • 54
    • 36048974339 scopus 로고    scopus 로고
    • for ionization of HCl at, rather than atop, an ice surface, see ref 55
    • (e) for ionization of HCl at, rather than atop, an ice surface, see ref 55.
  • 55
    • 84858466463 scopus 로고    scopus 로고
    • 3 acid dissociation issue.
    • 3 acid dissociation issue.
  • 57
    • 36049009163 scopus 로고    scopus 로고
    • At the Water's Edge: Nitric Acid as a Weak Acid
    • preprint
    • Shamay, E. S.; Buch, V.; Parrinello, M.; Richmond, G. L. At the Water's Edge: Nitric Acid as a Weak Acid, preprint, 2007.
    • (2007)
    • Shamay, E.S.1    Buch, V.2    Parrinello, M.3    Richmond, G.L.4
  • 60
    • 2442521530 scopus 로고    scopus 로고
    • We should note that nitric acid dissociates in central locations in small protonated water clusters see: D'Auria, R, Turco, R. P, Houk, K. N. J. Phys. Chem. A 2004, 108, 3756
    • We should note that nitric acid dissociates in central locations in small protonated water clusters (see: D'Auria, R.; Turco, R. P.; Houk, K. N. J. Phys. Chem. A 2004, 108, 3756.
  • 61
    • 0035859405 scopus 로고    scopus 로고
    • In addition to dissociation assistance by a hydronium ion already present, such small cluster systems, including those without an excess proton
    • Gilligan, J. J.; Castleman, A. W., Jr. J. Phys. Chem. A 2001, 105, 5601). In addition to dissociation assistance by a hydronium ion already present, such small cluster systems, including those without an excess proton
    • (2001) J. Phys. Chem. A , vol.105 , pp. 5601
    • Gilligan, J.J.1    Castleman Jr., A.W.2
  • 62
    • 10044289588 scopus 로고    scopus 로고
    • 25
    • 25
  • 63
    • 84858479782 scopus 로고    scopus 로고
    • In ref 2 for the reaction of ClONO2, HCl and in ref 62 for the hydrolysis of CIONO2, acid-dissociated HNO3 was found in small water cluster models of an ice surface. This may be related to a better solvation (than by a water molecule) of the nitrate ion via a soft Cl δ+/soft NO3- ionic interaction
    • - ionic interaction.
  • 65
    • 0037165451 scopus 로고    scopus 로고
    • J. Phys. Chem. B 2002, 106, 673.
    • (2002) , vol.106 , Issue.673
    • Phys, J.1    Chem, B.2
  • 70
    • 33847618816 scopus 로고    scopus 로고
    • J. Phys. Chem. C 2007, 111, 721;
    • (2007) , vol.111 , Issue.721
    • Phys, J.1    Chem, C.2
  • 71
    • 33847614791 scopus 로고    scopus 로고
    • J. Phys. Chem. C 2007, 111, 738.
    • (2007) , vol.111 , Issue.738
    • Phys, J.1    Chem, C.2
  • 77
    • 2742601692 scopus 로고    scopus 로고
    • Faraday. Discuss. 1998, 110, 301.
    • Faraday. Discuss. 1998, 110, 301.
  • 80
    • 36048939476 scopus 로고    scopus 로고
    • Persistence of molecular nitric acid under such conditions is suggested by assorted laboratory experiments for concentratred nitric acid solutions surfaces.17-19,22
    • 17-19,22
  • 83
    • 36048961899 scopus 로고    scopus 로고
    • An analysis (not presented here) of the entropy effects in Table 8, especially for cases II and III, which, as we have noted in section 3.5, exhibit somewhat anomalous aspects, suggests that there are certain finite size system effects, but their precise identification in terms of molecular motions has not been achieved
    • An analysis (not presented here) of the entropy effects in Table 8, especially for cases II and III, which, as we have noted in section 3.5, exhibit somewhat anomalous aspects, suggests that there are certain finite size system effects, but their precise identification in terms of molecular motions has not been achieved.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.