Authors:P. Storoniak, K. Krzymiński, and J. Błażejowski
Enthalpies of sublimation of acridine, 9-acridinamine, N-methyl-9-acridinamine, 10-methyl-9-acridinimine, N,N-dimethyl-9-acridinamine
and N-methyl-10-methyl-9-acridinimine were determined by fitting to thermogravimetric curves with the Clausius-Clapeyron relationship.
These values compare well with crystal lattice energies predicted theoretically as the sum of electrostatic, dispersive and
repulsive interactions. Partial charges for these calculations were obtained on an ab initio level, while atomic parameters
were taken from literature.
Authors:J. Rulewski, J. Rak, P. Dokurno, P. Skurski, and J. Błażejowski
Crystal lattice energies of several organochlorine compounds—including pesticides, of known crystal structures were calculated
on the basis of a model which takes into account electrostatic, dispersive and repulsive interactions—using three different
sets of empirical parameters. These characteristics compare reasonably with experimental heats of volatilization, and it was
subsequently shown how statistical and classical thermodynamics can be employed to evaluate dependencies of function of states
of gaseous and solid compounds on temperature and how enthalpies and temperatures of sublimation at standard pressure, as
well as vapour pressurevs. temperature dependencies can be predicted.