Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H...

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Bibliographic Details
Title: Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H...
Authors: Mebel, A.M., Jackson, W.M., Chang, A.H.H., Lin, S.H.
Source: Journal of the American Chemical Society. 06/17/98, Vol. 120 Issue 23, p5751. 13p. 7 Diagrams, 4 Charts, 5 Graphs.
Subjects: Chemistry, Potential energy surfaces, Allene
Abstract: Presents a study which investigated the potential energy surfaces of various primary and secondary products from the photodissociation of propyne and allene of C3Heta (eta = 1-4) species. Analysis of the electronic spectrum of propyne; Equilibrium structures and transition states of C3Heta (eta = 1-4); Differences between photon energy and adiabatic excitation energies of equilibrium structures.
Database: Engineering Source
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