How to observe the elusive resonances in H or D + H sub 2 yields H sub 2 or HD + H reactive scattering

Journal Article · Thu Jan 10 04:00:00 EST 1991 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100154a007· OSTI ID:5926152

Miller, W H; Zhang, J Z.H. ^[1]

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1. Lawrence Berkeley Lab., CA (USA)

Short-lived collision complexes in H or D + H{sub 2} (v = j = 0) {yields} H{sub 2} or HD ({nu}{prime},j{prime}) + H reactive scattering give rise to broad resonance structure. Though this structure is not observable in the energy dependence of the integral cross section, it is readily seen in the energy dependence in the differential cross section {sigma}({theta},E), as a peak along a line in the E-{theta} plane. The equation of this resonance line is E = E{sub r}(J({theta})), where E{sub r}(J) is the resonance energy as a function of total angular momentum J (i.e., the rotational quantum number of the complex) and J({theta}) is the inverse function of {Theta}(J), the effective classical deflection function for the transition. Observation of this resonance structure requires cross section to individual final ({nu}{prime}, j{prime}) states; it is quenched by summing over j{prime}. The results reported are all from rigorous three-dimensional quantum mechanical reactive scattering calculations for these cross sections.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5926152
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 95:1; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ANGULAR MOMENTUM
CROSS SECTIONS
DATA
DEUTERIUM
DIFFERENTIAL CROSS SECTIONS
ELEMENTS
HYDROGEN
HYDROGEN ISOTOPES
INELASTIC SCATTERING
INFORMATION
ISOTOPES
LIGHT NUCLEI
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
RESONANCE SCATTERING
SCATTERING
STABLE ISOTOPES
THEORETICAL DATA
THREE-DIMENSIONAL CALCULATIONS