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Volumn 44, Issue 27, 2005, Pages 4254-4257

Stability of gaseous thallium monofluoride as TlF0, TlF +, and TlF2+

Author keywords

Ab initio calculations; Charge transfer; Coulomb explosion; Mass spectrometry; Metastable ions; Thallium fluoride

Indexed keywords

CHARACTERIZATION; CHARGED PARTICLES; EXPLOSIVES; REDOX REACTIONS; STABILITY;

EID: 22144472274     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200461334     Document Type: Article
Times cited : (7)

References (45)
  • 17
    • 22144451816 scopus 로고    scopus 로고
    • note
    • + beam in the vicinity of the detector, these should give rise to signals at the correct m/z values of the two Tl isotopes in the B(1) scan. Even though the detector was set to maximal sensitivity, no photons could be observed.
  • 22
    • 22144485171 scopus 로고    scopus 로고
    • note
    • + species formed, the low pressures applied in the ion source as well as the favorable Franck-Condon factors for the ionization of neutral TlF into low-lying cation states (see text) discount the need to include this issue in the further discussion.
  • 23
    • 22144450303 scopus 로고    scopus 로고
    • note
    • Ion dissociation owing to collisional activation by background gases was found to be negligible.
  • 26
    • 22144483405 scopus 로고    scopus 로고
    • note
    • min = 19.7 ± 1.1 eV can be extracted from experiment.
  • 29
    • 22144454272 scopus 로고    scopus 로고
    • note
    • 2+ according to Equation (2).
  • 30
    • 22144475822 scopus 로고    scopus 로고
    • note
    • [20] For fluorine, the aug-cc-pVQZ basis set has been used. The 5s and 5p orbitals of thallium and the 1s orbital of fluorine were left uncorrelated. The MR-AQCC calculations use a reference CASSCF wave function with 13 active orbitals (full valence space covering the Tl 5d/6s/6p and F 2s/2p atomic orbitals).
  • 33
    • 22144493324 scopus 로고    scopus 로고
    • note
    • + which shift the state-averaged atomic asymptotes lower by 0.644, 0.967, 0.017, and 0.021 eV, respectively.
  • 34
    • 22144476523 scopus 로고    scopus 로고
    • see ref. [10b]
    • For a discussion of several values, see ref. [10b].
  • 35
    • 8344240622 scopus 로고    scopus 로고
    • National Institute of Standards, Gaithersburg
    • Taken from: NIST Standard Reference Database #69, National Institute of Standards, Gaithersburg, 2003, see: http://webbook.nist.gov/chemistry/.
    • (2003) NIST Standard Reference Database #69
  • 37
  • 38
    • 22144468393 scopus 로고    scopus 로고
    • note
    • hν.i = 3.7 eV might escape detection.
  • 39
    • 8944228142 scopus 로고
    • To our knowledge, there is no precedent of this particular experiment. However, photon emission upon collisional activation has already been observed in sector instruments, see: a) J. L. Holmes, P. M. Mayer, A. A. Mommers, J. Am. Chem. Soc. 1991, 113, 9405;
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 9405
    • Holmes, J.L.1    Mayer, P.M.2    Mommers, A.A.3
  • 45
    • 2942650910 scopus 로고    scopus 로고
    • and references therein
    • 4; see: E. E. Rennie, P. M. Mayer, J. Chem. Phys. 2004, 120, 10561, and references therein.
    • (2004) J. Chem. Phys. , vol.120 , pp. 10561
    • Rennie, E.E.1    Mayer, P.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.