356535-04-1

Basic information

• Product Name: YC₃⁽²⁾H₄
• CAS NO: 356535-04-1
• Molecular Weight: 132.939
• Mol File: 356535-04-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: YC₃⁽²⁾H₄(CAS DataBase Reference)
• NIST Chemistry Reference: YC₃⁽²⁾H₄(356535-04-1)
• EPA Substance Registry System: YC₃⁽²⁾H₄(356535-04-1)

Safety Data

• Hazardous Substances Data: 356535-04-1(Hazardous Substances Data)

Upstream product

• 1517-52-8 hexadeuteriopropene 

Relevant articles and documents

Kinetics and mechanism of the reactions of ground-state Y (4d15s2, 2D) with ethylene and propylene: Experiment and theory

The kinetic isotope effects, bimolecular rate constants, and primary products for the reactions of Y (4d15s2, 2D) with C2H4 and C2D4 and with C3H6 and C3D6 were determined in a fast flow reactor at 300 K, with He/N2 buffer gas at 0.8 torr. The stationary points on the doublet potential energy surface for the reaction Y + C2H4 → YC2H2 + H2 were characterized using density functional theory in its B3LYP and mPW1PW91 forms with a large basis set. A new lowest-energy path involving the concerted elimination of H2 was identified, consistent with the observation of YC2H2 products. Theory provided a set of geometries and vibrational frequencies for use in statistical rate models of the hot metallacyclopropane complex decay. The preferred model required no adjustments to the mPW1PW91 energies. This model was consistent with the collection of Y + C2H4 experimental data. The results indicated that nonadiabatic and/or steric effects contribute to the reaction inefficiency at room temperature.