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Volumn 110, Issue 27, 2006, Pages 8457-8466

Thermochemical studies of pyrazolide

Author keywords

[No Author keywords available]

Indexed keywords

CCN BENDING MODE; ELECTRON AFFINITY; PYRAZOLIDE ANION; VIBRONIC FEATURE;

EID: 33746331066     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp057499+     Document Type: Article
Times cited : (43)

References (80)
  • 9
    • 33746357484 scopus 로고    scopus 로고
    • note
    • In our previous publications (refs 7 and 8), pyrrolide (or pyrrolyl) and imidazolide (or imidazolyl) were used interchangeably with 1-pyrrolide (or 1-pyrrolyl) and 1-imidazolide (or 1-imidazolyl), respectively. In the present paper, we make the position of deprotonation explicit in nomenclature to avoid confusion.
  • 10
    • 33746347242 scopus 로고    scopus 로고
    • Gianola, A. J.; Ichino, T.; Lineberger, W. C.; Stanton, J. F. Manuscript to be published
    • Gianola, A. J.; Ichino, T.; Lineberger, W. C.; Stanton, J. F. Manuscript to be published.
  • 11
    • 0000860008 scopus 로고
    • Adams, N. G., Babcock, L. M., Eds.; JAI Press; Greenwich, CT
    • Ervin, K. M.; Lineberger, W. C. In Advances in Gas Phase Ion Chemistry; Adams, N. G., Babcock, L. M., Eds.; JAI Press; Greenwich, CT, 1992; Vol. 1, pp 121-166.
    • (1992) Advances in Gas Phase Ion Chemistry , vol.1 , pp. 121-166
    • Ervin, K.M.1    Lineberger, W.C.2
  • 30
    • 9944245340 scopus 로고    scopus 로고
    • University of Nevada, Reno: Reno, NV
    • Ervin, K. M. PESCAL, Fortran program; http://www.chem.unr.edu/ ~ervin/pes; University of Nevada, Reno: Reno, NV, 2003.
    • (2003) PESCAL, Fortran Program
    • Ervin, K.M.1
  • 32
    • 33746343543 scopus 로고    scopus 로고
    • note
    • Only totally symmetric modes are considered in the Franck-Condon overlap calculations.
  • 33
    • 33746350662 scopus 로고    scopus 로고
    • note
    • The photoelectron kinetic energy dependence of the detachment cross section has only minor effects on the relative peak intensities. Also, for the energy range in Figure 4 (eBE < 3.2 eV or eKE > 0.3 eV), there should not be any significant instrumental artifacts on the relative peak intensities.
  • 39
    • 0011083273 scopus 로고    scopus 로고
    • This scaling factor is very similar to a standard scaling factor used for the B3LYP method with a similar basis set. Scott, A. P.; Radom, L J. Phys. Chem. 1996, 100, 16502.
    • (1996) J. Phys. Chem. , vol.100 , pp. 16502
    • Scott, A.P.1    Radom, L.2
  • 43
    • 33746377192 scopus 로고    scopus 로고
    • Villano, S. M.; Gianola, A. J.; Ichino, T.; Kalo, S.; Bierbaum, V. M.; Lineberger, W. C. Manuscript to be published
    • Villano, S. M.; Gianola, A. J.; Ichino, T.; Kalo, S.; Bierbaum, V. M.; Lineberger, W. C. Manuscript to be published.
  • 44
    • 33746332247 scopus 로고    scopus 로고
    • note
    • 2A" state, and we do not recognize any feature observed at eBE > 2.8 eV in Figure 1 (or Figure 3) assignable to the 5-pyrazolyl excited state.
  • 45
    • 33746331578 scopus 로고    scopus 로고
    • note
    • A factor of 2 was taken into account because there are two electronic states apparent in the 1-pyrazolide spectrum.
  • 63
    • 0011746991 scopus 로고    scopus 로고
    • The mechanisms of these gas phase reactions have been theoretically studied. See ref 55 and Basch, H.; Hoz, S. J. Phys. Chem. A 1997, 101, 4416-4431.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 4416-4431
    • Basch, H.1    Hoz, S.2
  • 64
    • 33746324431 scopus 로고    scopus 로고
    • note
    • The difference in the mechanism of the OH radical reaction with hydrazine between the gas phase and aqueous solution has been discussed in refs 55 and 62.
  • 68
    • 33746327957 scopus 로고    scopus 로고
    • note
    • -1) is another in-plane ring bending mode.
  • 80
    • 33746367948 scopus 로고    scopus 로고
    • Andrews, D. H.; Rathbone, G. J.; Misaizu, F.; Calvi, R. M. D.; Lineberger, W. C. Manuscript to be published
    • Andrews, D. H.; Rathbone, G. J.; Misaizu, F.; Calvi, R. M. D.; Lineberger, W. C. Manuscript to be published.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.