The transition state of the F+H2 reaction

The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that...

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Veröffentlicht in:Science (American Association for the Advancement of Science) 1993-12, Vol.262 (5141), p.1852-1855
Hauptverfasser: MANOLOPOULOS, D. E, STARK, K, WERNER, H.-J, ARNOLD, D. W, BRADFORTH, S. E, NEUMARK, D. M
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Sprache:eng
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Zusammenfassung:The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that use an accurate new ab initio potential energy surface for F + H(2). The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively.
ISSN:0036-8075
1095-9203
DOI:10.1126/science.262.5141.1852