Electron spin resonance study of the reaction of H with D sub 2 at 274-364 K

Journal Article · Thu May 03 04:00:00 EDT 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100372a046· OSTI ID:6439745

Jayaweera, I S; Pacey, P D ^[1]

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1. Dalhousie Univ., Halifax, Nova Scotia (Canada)

The electron spin resonance technique has been used to study the reaction H + D{sub 2} {yields} HD + D (1) in a flow system at 274-364 K. The decay of H atoms was measured with a range of concentrations, flow rates, and flow patterns for reactants and unreactive gases to check for possible competing reactions or systematic errors. The rate constants obtained indicate that the Arrhenius plot for reaction 1 is less curved then suggested by an earlier study. A transition-state model incorporating tunneling through an Eckart barrier was fit to the present data and earlier data. The fitted barrier height was found to be 40.4 {plus minus} 0.8 kJ mol{sup {minus}1}; the transition-state bending term value, 723 {plus minus} 146 cm{sup {minus}1}; and the characteristic tunneling temperature, 213 {plus minus} 32 K. These parameters agree with the results of ab initio calculations.

• OSTI ID: 6439745
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:9; 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
CHEMICAL REACTION KINETICS
DATA
DATA ANALYSIS
DEUTERIUM
ELECTRON SPIN RESONANCE
ELEMENTS
EXPERIMENTAL DATA
HYDROGEN
HYDROGEN ISOTOPES
INFORMATION
ISOTOPES
KINETICS
LIGHT NUCLEI
MAGNETIC RESONANCE
MEASURING INSTRUMENTS
MEASURING METHODS
MEDIUM TEMPERATURE
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
REACTION KINETICS
RESONANCE
STABLE ISOTOPES