Изотопные эффекты в спектрах комплексов с водородными связями. Ангармонические расчеты изотопологов комплекса [F(HF)-=SUB=-2-=/SUB=-]-=SUP=---=/SUP=-

The frequencies and intensities of IR absorption bands of symmetric and asymmetric H-bonded complexes [FL1FL2F]- (L1, L2 = K-meson Ka, proton H, deuton D, and triton T) are calculated. The equilibrium configuration and potential energy and dipole moment surfaces of isotopologues [FL1FL2F]- were calculated by the MP2/6-311++G(3df,3pd) method with the basis set superposition error taken into account. The calculations of spectral parameters with allowance for anharmonic interactions of all vibrations were carried out using the second-order vibrational perturbation theory. Variation of Li and L2 masses in wide regions allowed significant changes in the forms of normal vibrations and values of anharmonic interaction constants upon isotopic substitution to be obtained. The trends in the changes of spectral parameters were determined upon transition from one symmetric isotopologue to another and upon transition from symmetric to asymmetric isotopologues. The D-F stretching band frequency predicted for [FHFDF]- is in good agreement with the experimental value. The assignment of this band was improved.

CP Violation

This chapter describes particle reactions that violate CP and T symmetry, the decay of the neutral K meson and the neutral B meson. It presents the Kobayashi-Maskawa model that explains how the Standard Model can provide a theory of CP and T violation and describes experimental tests of that model.