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Ring puckering dynamics molecular models

Let X be the ring-puckering coordinate and y the PH inversion coordinate in 3-phospholene (see Fig. 33). The dynamics of isomerization in this molecule is assumed to be adequately described by these coupled two DOF s without need for consideration of other DOFs. Under this assumption, the Harthcock-Laane potential energy surface consists of a fourth-order polynomial in x, a fourth-order polynomial in y, and a sixth-order polynomial coupling x and y. With molecular rotation neglected, the model Hamiltonian for 3-phospholene is given by... [Pg.91]


See other pages where Ring puckering dynamics molecular models is mentioned: [Pg.201]    [Pg.346]    [Pg.82]    [Pg.402]    [Pg.418]    [Pg.321]    [Pg.908]    [Pg.140]    [Pg.89]    [Pg.404]   
See also in sourсe #XX -- [ Pg.40 , Pg.346 ]




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