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2014 | OriginalPaper | Buchkapitel

3. Dynamical Resonances in F + H2 Reactions

verfasst von : Zefeng Ren

Erschienen in: State-to-State Dynamical Research in the F+H2 Reaction System

Verlag: Springer Berlin Heidelberg

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Abstract

F + H2 reaction first attracted attention due to the application of chemical laser. This is the first reaction which has product vibrational state resolved measurements. Using chemical laser and infrared light emitting, researchers found that the population of the product HF vibrational states is highly inverted. Crossed molecular beam studies of this system are the main work of Yuan Tseh Lee’s Nobel Prize in Chemistry in 1986. In this chapter, studies on resonance phenomenon in the F + H2 reaction are mainly described. In Sect. 3.1, studies on resonance in the F + H2 reaction are reviewed; crossed molecular beam studies in the F(2P2/3) + H2 → HF + H reaction are introduced in Sects. 3.2 and 3.3 discusses the studies of the F(2P2/3) + HD → HF + H reaction, and the last section is a summary.

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Literatur
1.
Zurück zum Zitat Althorpe SC, Clary DC (2003) Quantum scattering calculations on chemical reactions. Annu Rev Phys Chem 54:493–529CrossRef Althorpe SC, Clary DC (2003) Quantum scattering calculations on chemical reactions. Annu Rev Phys Chem 54:493–529CrossRef
2.
Zurück zum Zitat Aoiz FJ, Banares L, Herrero VJ (1998) Recent results from quasiclassical trajectory computations of elementary chemical reactions. J Chem Soc-Faraday Trans 94:2483–2500CrossRef Aoiz FJ, Banares L, Herrero VJ (1998) Recent results from quasiclassical trajectory computations of elementary chemical reactions. J Chem Soc-Faraday Trans 94:2483–2500CrossRef
3.
Zurück zum Zitat Aoiz FJ, Banares L, Herrero VJ et al (1994) Classical dynamics for the F + H2 → HF + H reaction on a new ab initio potential energy surface. A direct comparison with experiment. Chem Phys Lett 223:215–226CrossRef Aoiz FJ, Banares L, Herrero VJ et al (1994) Classical dynamics for the F + H2 → HF + H reaction on a new ab initio potential energy surface. A direct comparison with experiment. Chem Phys Lett 223:215–226CrossRef
4.
Zurück zum Zitat Aquilanti V, Cavalli S, De Fazio D et al (2002) Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F + H2, including long-range and spin orbit effects. Phys Chem Chem Phys 4:401–415CrossRef Aquilanti V, Cavalli S, De Fazio D et al (2002) Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F + H2, including long-range and spin orbit effects. Phys Chem Chem Phys 4:401–415CrossRef
5.
Zurück zum Zitat Castillo JF, Manolopoulos DE, Stark K et al (1996) Quantum mechanical angular distributions for the F + H2 reaction. J Chem Phys 104:6531–6546CrossRef Castillo JF, Manolopoulos DE, Stark K et al (1996) Quantum mechanical angular distributions for the F + H2 reaction. J Chem Phys 104:6531–6546CrossRef
6.
Zurück zum Zitat Che L (2008) thesis: studies on non-adiabatic effect and reaction resonance in the reaction F(2P) + H2/HD/D2. Institute of Chemical Physics, CAS. Dalian China Che L (2008) thesis: studies on non-adiabatic effect and reaction resonance in the reaction F(2P) + H2/HD/D2. Institute of Chemical Physics, CAS. Dalian China
7.
Zurück zum Zitat Dong F, Lee SH, Liu K (2000) Reactive excitation functions for F + p-H2/n-H2/D2 and the vibrational branching for F + HD. J Chem Phys 113:3633–3640CrossRef Dong F, Lee SH, Liu K (2000) Reactive excitation functions for F + p-H2/n-H2/D2 and the vibrational branching for F + HD. J Chem Phys 113:3633–3640CrossRef
8.
Zurück zum Zitat Hayes M, Gustafsson M, Mebel AM et al (2005) An improved potential energy surface for the F + H2 reaction. Chem Phys 308:259–266CrossRef Hayes M, Gustafsson M, Mebel AM et al (2005) An improved potential energy surface for the F + H2 reaction. Chem Phys 308:259–266CrossRef
9.
Zurück zum Zitat Hu QJ, Hepburn JW (2006) Energetics and dynamics of threshold photoion-pair formation in HF/DF. J Chem Phys 124:74311CrossRef Hu QJ, Hepburn JW (2006) Energetics and dynamics of threshold photoion-pair formation in HF/DF. J Chem Phys 124:74311CrossRef
10.
Zurück zum Zitat Lee SH, Dong F, Liu KP (2006) A crossed-beam study of the F + HD → HF + D reaction: the resonance-mediated channel. J Chem Phys 125:133106CrossRef Lee SH, Dong F, Liu KP (2006) A crossed-beam study of the F + HD → HF + D reaction: the resonance-mediated channel. J Chem Phys 125:133106CrossRef
11.
Zurück zum Zitat Lee SH, Dong F, Liu KP (2002) Reaction dynamics of F + HD → HF + D at low energies: resonant tunneling mechanism. J Chem Phys 116:7839–7848CrossRef Lee SH, Dong F, Liu KP (2002) Reaction dynamics of F + HD → HF + D at low energies: resonant tunneling mechanism. J Chem Phys 116:7839–7848CrossRef
12.
Zurück zum Zitat Lee YT (1986) Molecular beam studies of elementary chemical processes. Nobel Lecture Lee YT (1986) Molecular beam studies of elementary chemical processes. Nobel Lecture
13.
Zurück zum Zitat Lee YT (1987) Molecular beam studies of elementary chemical processes. Science 236(4803):793–798CrossRef Lee YT (1987) Molecular beam studies of elementary chemical processes. Science 236(4803):793–798CrossRef
14.
Zurück zum Zitat Mann DE, Thrush BA, Lide JDR et al (1961) Spectroscopy of fluorine flames. I. Hydrogen-fluorine flame and the vibration-rotation emission spectrum of HF. J Chem Phys 34:420–431CrossRef Mann DE, Thrush BA, Lide JDR et al (1961) Spectroscopy of fluorine flames. I. Hydrogen-fluorine flame and the vibration-rotation emission spectrum of HF. J Chem Phys 34:420–431CrossRef
15.
Zurück zum Zitat Manolopoulos DE (1997) The dynamics of the F + H2 reaction. J Chem Soc-Faraday Trans 93:673–683CrossRef Manolopoulos DE (1997) The dynamics of the F + H2 reaction. J Chem Soc-Faraday Trans 93:673–683CrossRef
16.
Zurück zum Zitat Manolopoulos DE, Stark K, Werner HJ et al (1993) The transition-state of the F + H2 reaction. Science 262:1852–1855CrossRef Manolopoulos DE, Stark K, Werner HJ et al (1993) The transition-state of the F + H2 reaction. Science 262:1852–1855CrossRef
17.
Zurück zum Zitat Neumark DM, Wodtke AM, Robinson GN et al (1984) Experimental investigation of resonances in reactive scattering: The F + H2 reaction. Phys Rev Lett 53:226CrossRef Neumark DM, Wodtke AM, Robinson GN et al (1984) Experimental investigation of resonances in reactive scattering: The F + H2 reaction. Phys Rev Lett 53:226CrossRef
18.
Zurück zum Zitat Neumark DM, Wodtke AM, Robinson GN et al (1985) Molecular beam studies of the F + H2 reaction. J Chem Phys 82:3045–3066CrossRef Neumark DM, Wodtke AM, Robinson GN et al (1985) Molecular beam studies of the F + H2 reaction. J Chem Phys 82:3045–3066CrossRef
19.
Zurück zum Zitat Neumark DM, Wodtke AM, Robinson GN et al (1985) Molecular beam studies of the F + D2 and F + HD reactions. J Chem Phys 82:3067–3077CrossRef Neumark DM, Wodtke AM, Robinson GN et al (1985) Molecular beam studies of the F + D2 and F + HD reactions. J Chem Phys 82:3067–3077CrossRef
20.
Zurück zum Zitat Parker JH, Pimentel GC (1969) Vibrational energy distribution through chemical laser studies. I. Fluorine atoms plus hydrogen or methane. J Chem Phys 51:91–96CrossRef Parker JH, Pimentel GC (1969) Vibrational energy distribution through chemical laser studies. I. Fluorine atoms plus hydrogen or methane. J Chem Phys 51:91–96CrossRef
21.
Zurück zum Zitat Polanyi JC, Tardy DC (1969) Energy distribution in the exothermic reaction F + H2 and the endothermic reaction HF + H. J Chem Phys 51:5717–5719CrossRef Polanyi JC, Tardy DC (1969) Energy distribution in the exothermic reaction F + H2 and the endothermic reaction HF + H. J Chem Phys 51:5717–5719CrossRef
22.
Zurück zum Zitat Polanyi JC, Woodall KB (1972) Energy distribution among reaction products. VI. F + H2, D2. J Chem Phys 57:1574–1586CrossRef Polanyi JC, Woodall KB (1972) Energy distribution among reaction products. VI. F + H2, D2. J Chem Phys 57:1574–1586CrossRef
23.
Zurück zum Zitat Qiu M (2006) thesis: High resolution crossed molecular beams study on the F + H2 reaction. Dalian Institute of Chemical Physics, CAS. Dalian, China Qiu M (2006) thesis: High resolution crossed molecular beams study on the F + H2 reaction. Dalian Institute of Chemical Physics, CAS. Dalian, China
24.
Zurück zum Zitat Qiu M, Ren Z, Che L et al (2006) Observation of Feshbach resonances in the F + H2 → HF + H reaction. Science 311:1440–1443CrossRef Qiu M, Ren Z, Che L et al (2006) Observation of Feshbach resonances in the F + H2 → HF + H reaction. Science 311:1440–1443CrossRef
25.
Zurück zum Zitat Ren Z, Che L, Qiu M et al (2008) Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy. Proc Natl Acad Sci USA 105:12662–12666CrossRef Ren Z, Che L, Qiu M et al (2008) Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy. Proc Natl Acad Sci USA 105:12662–12666CrossRef
26.
Zurück zum Zitat Ren ZF, Che L, Qiu MH et al (2006) Probing Feshbach resonances in F + H-2(j = 1) → HF + H: Dynamical effect of single quantum H2-rotation. J Chem Phys 125 Ren ZF, Che L, Qiu MH et al (2006) Probing Feshbach resonances in F + H-2(j = 1) → HF + H: Dynamical effect of single quantum H2-rotation. J Chem Phys 125
27.
Zurück zum Zitat Ren ZF, Qiu MH, Che L et al (2006) A double-stage pulsed discharge fluorine atom beam source. Rev Sci Instrum 77:016102CrossRef Ren ZF, Qiu MH, Che L et al (2006) A double-stage pulsed discharge fluorine atom beam source. Rev Sci Instrum 77:016102CrossRef
28.
Zurück zum Zitat Schatz GC, Bowman JM, Kuppermann A (1973) Large quantum effects in the collinear F + H2 → FH + H reaction. J Chem Phys 58:4023–4025CrossRef Schatz GC, Bowman JM, Kuppermann A (1973) Large quantum effects in the collinear F + H2 → FH + H reaction. J Chem Phys 58:4023–4025CrossRef
29.
Zurück zum Zitat Skodje RT, Skouteris D, Manolopoulos DE et al (2000) Resonance-mediated chemical reaction: F + HD → HF + D. Phys Rev Lett 85:1206CrossRef Skodje RT, Skouteris D, Manolopoulos DE et al (2000) Resonance-mediated chemical reaction: F + HD → HF + D. Phys Rev Lett 85:1206CrossRef
30.
Zurück zum Zitat Skodje RT, Skouteris D, Manolopoulos DE et al (2000) Observation of a transition state resonance in the integral cross section of the F + HD reaction. J Chem Phys 112:4536–4552CrossRef Skodje RT, Skouteris D, Manolopoulos DE et al (2000) Observation of a transition state resonance in the integral cross section of the F + HD reaction. J Chem Phys 112:4536–4552CrossRef
31.
Zurück zum Zitat Stark K, Werner HJ (1996) An accurate multireference configuration interaction calculation of the potential energy surface for the F + H2 → HF + H reaction. J Chem Phys 104:6515–6530CrossRef Stark K, Werner HJ (1996) An accurate multireference configuration interaction calculation of the potential energy surface for the F + H2 → HF + H reaction. J Chem Phys 104:6515–6530CrossRef
32.
Zurück zum Zitat Stoicheff BP (2001) On the dissociation energy of molecular hydrogen. Can J Phys 79:165–172CrossRef Stoicheff BP (2001) On the dissociation energy of molecular hydrogen. Can J Phys 79:165–172CrossRef
33.
Zurück zum Zitat Takayanagi T (2006) The effect of van der Waals resonances on reactive cross sections for the F + HD reaction. Chem Phys Lett 433:15–18CrossRef Takayanagi T (2006) The effect of van der Waals resonances on reactive cross sections for the F + HD reaction. Chem Phys Lett 433:15–18CrossRef
34.
Zurück zum Zitat Wang XG, Dong WR, Qiu MH et al (2008) HF(v′ = 3) forward scattering in the F + H2 reaction: Shape resonance and slow-down mechanism. Proc Natl Acad Sci USA 105:6227–6231CrossRef Wang XG, Dong WR, Qiu MH et al (2008) HF(v′ = 3) forward scattering in the F + H2 reaction: Shape resonance and slow-down mechanism. Proc Natl Acad Sci USA 105:6227–6231CrossRef
35.
Zurück zum Zitat Wu S-F, Johnson BR, Levine RD (1973) Quantum mechanical computational studies of chemical reactions: III. Collinear A BC reaction with some model potential energy surfaces. Mol Phys 25:839–856CrossRef Wu S-F, Johnson BR, Levine RD (1973) Quantum mechanical computational studies of chemical reactions: III. Collinear A BC reaction with some model potential energy surfaces. Mol Phys 25:839–856CrossRef
36.
Zurück zum Zitat Xu CX, Xie DQ, Zhang DH (2006) A global ab initio potential energy surface for F + H2 → HF + H. Chin J Chem Phys 19:96–98CrossRef Xu CX, Xie DQ, Zhang DH (2006) A global ab initio potential energy surface for F + H2 → HF + H. Chin J Chem Phys 19:96–98CrossRef
37.
Zurück zum Zitat Yang XF, Hwang DW, Lin JJ et al (2000) Dissociation dynamics of the water molecule on the (A)over-tilde B-1(1) electronic surface. J Chem Phys 113:10597–10604CrossRef Yang XF, Hwang DW, Lin JJ et al (2000) Dissociation dynamics of the water molecule on the (A)over-tilde B-1(1) electronic surface. J Chem Phys 113:10597–10604CrossRef
Metadaten
Titel
Dynamical Resonances in F + H2 Reactions
verfasst von
Zefeng Ren
Copyright-Jahr
2014
Verlag
Springer Berlin Heidelberg
DOI
https://doi.org/10.1007/978-3-642-39756-1_3

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