메뉴 건너뛰기




Volumn 104, Issue 9, 2000, Pages

Direct observation of spin forbidden proton-transfer reactions: 3NO- + HA → 1HNO + A-

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0041759732     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp992511h     Document Type: Article
Times cited : (26)

References (44)
  • 1
    • 0042842618 scopus 로고    scopus 로고
    • In contrast, endothermic proton transfers are slow and observable only when the endothermicity is small
    • In contrast, endothermic proton transfers are slow and observable only when the endothermicity is small.
  • 10
    • 85088333610 scopus 로고    scopus 로고
    • note
    • - have singlet electronic ground states.
  • 16
    • 85088332479 scopus 로고    scopus 로고
    • note
    • - generated in the manner described here must be in the triplet ground electronic state.
  • 24
    • 0042341739 scopus 로고    scopus 로고
    • - ion loss is attributed to optical photodetachment from the filament used for ion generation Janaway, G. A.; Brauman, J. I.; J. Phys. Chem. A 2000, 104, 1117.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 1117
    • Janaway, G.A.1    Brauman, J.I.2
  • 25
    • 85088332990 scopus 로고    scopus 로고
    • note
    • 26
  • 27
    • 36749115629 scopus 로고
    • Chesnavich, W. J.; Su, T.; Bowers, M. T. J. Chem. Phys. 1980, 72, 2641-2655. Su, T.; Chesnavich, W. J. J Chem. Phys. 1982, 76, 5183-5185.
    • (1982) J Chem. Phys. , vol.76 , pp. 5183-5185
    • Su, T.1    Chesnavich, W.J.2
  • 29
    • 85088331740 scopus 로고    scopus 로고
    • note
    • -1.
  • 31
    • 0042842612 scopus 로고    scopus 로고
    • note
    • - is the sum of the rates of noncollisional loss, collisional electron detachment, and proton transfer. The collisional detachment rate is about 10% of the noncollisional loss rate. We obtain the proton-transfer rate by subtracting the noncollisional rate plus the collisional detachment rate (assumed to be the same as for other polyatomics) from the observed rate. The proton-transfer rate constant is obtained by dividing the proton-transfer rate by the pressure. We see protontransfer products for those reactions in which there is a significant increase in the collisional loss rate. Under these conditions, however, the protontransfer rate is the major determinant of the collisional loss rate, so we cannot tell how much, if any, collisional detachment is occurring.
  • 33
    • 85088332351 scopus 로고    scopus 로고
    • note
    • * level.
  • 35
    • 85088332727 scopus 로고    scopus 로고
    • note
    • -, using several basis sets and levels of theory, differed by about 6 kcal/mol from the experimental value. Calculated ground-state energies are correct to within 3 kcal/mol, however, suggesting that the complexation energies should be reliable to similar uncertainty.
  • 36
    • 0041339913 scopus 로고    scopus 로고
    • We assume that the rate of barrier recrossing is negligible, consistent with the exothermicity of the reaction, Figure 1, and the spin change required for the reverse reaction
    • We assume that the rate of barrier recrossing is negligible, consistent with the exothermicity of the reaction, Figure 1, and the spin change required for the reverse reaction.
  • 37
    • 85088333248 scopus 로고    scopus 로고
    • note
    • - loss rates would not be expected to differ significantly between the two thiol complexes.
  • 38
    • 0004344770 scopus 로고
    • The Benjamin/ Cummings Publishing Co., Inc.: Menlo Park, CA
    • Turro, N. J. Modern Molecular Photochemistry; The Benjamin/ Cummings Publishing Co., Inc.: Menlo Park, CA, 1978.
    • (1978) Modern Molecular Photochemistry
    • Turro, N.J.1
  • 44
    • 0042341740 scopus 로고    scopus 로고
    • note
    • Frequencies for RRKM calculations were obtained using Gaussian 94 at the MP2/6-31+G*level of theory, and were scaled by 0.95.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.