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Title: Kinetics and Mechanism of the Reactions of Ground-State Y (4d15s2, 2D) with Ethylene and Propylene: Experiment and Theory
Journal: J. Phys. Chem. A
Volume: 105
Page(s): 6655 - 6667
Year: 2001
Reference type: Journal article
Squib: 2001POR/WEI6655-6667
Reaction:
C2D4 + Y → D2 + Y(C2D2)
Reaction order:
2
Reference reaction:
C2D4 + Y → Products
Reference reaction order:
2
Temperature:
300
K
Pressure: 1.07E-3 bar
Rate expression:
6.7x10-1±9.0x10-2
Bath gas:
He
Category: Experiment
Data type:
Absolute value measured directly
Pressure dependence:
None reported
Experimental procedure:
Flow tube - Data taken vs distance
Excitation technique:
Flash photolysis (laser or conventional)
Time resolution:
By end product analysis
Analytical technique:
Mass spectrometry
Comments:
Used laser ablation to generate Y atoms. Y(4d15s2 2D3/2) is ground state of Yttrium. Reaction products were detected with PIMS (Photoionization mass spectrometry) (TOF/MS) using a 157 nm laser light source. Temperature was 300(5) K. Pressure was typically 0.8 torr total He/N2 with 0.1 torr N2 to quench He* and Y* metastable states. Reported uncertainties are 1 sigma. Absolute uncertainty is quoted as 30%. Density functional calculations were also done on reactants, products, and transition states using B3LYP and mPW1PW91 functions using basis sets 6-311++G(d,p) for C,H and Stuttgart TZ+ECP for Yttrium. Found isotope effect for ethylene but none for propylene.
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