Determination of the force constants of non-linear XY2 molecules in the gas-phase by the GF matrix method

Abstract

The force constants of internal coordinates of nonlinear XY2 molecules in the gas-phase were calculated by using the GF matrix method. The matrix solution was carried out by means a computer program built relative to the Newton-Raphson method and the calculations were listed in a table. The force constants of some molecules in the liquid-and solid- phase were also found and compared with these ones, and it was seen that the force constants for more condensed phase are lower as in an agreement with having its lower frequency.