Effect of crystal packing on the solid-state spectral properties of vicinal diketones

JI Crowley, RD Balanson…

Index: Crowley; Balanson; Mayerle Journal of the American Chemical Society, 1983 , vol. 105, # 21 p. 6416 - 6422

Full Text: HTML

Citation Number: 20

Abstract

Discussion The final force field is given in Table 11. The calculated frequencies are compared with the experimental values in Table 111. The average error is 0.57% or 5.55 cm- I. The main contributions to the potential energy distribution are also listed in Table I11 together with an approximate description of the modes and with the calculated neutron intensity which is related to CHCd2 (A). The valence force field of Snyder and ...