Analytic Potential Energy Functions for Hydrogen Isotopic Molecules

The first step is to derive the Extended Rydberg(ER)function for hydrogen isotopic molecules using spectroscopic data and to calculate the spectroscopic data ofOT(X2Пi) based on the isotopic effect. Then, itwill be possible to have the potential energy functions of triatomics, such as DTO. These ER functionswill be used to studythermodynamics and molecular dynamics for the separation ofT2from heavywater. In addition, It is found fromthe maximumof isotopic shift that△Ev(H2)≈△Ev(T2) at the vibration quantum numbervmax≈11.5,△Ev(H2)>△Ev(T2) ifvvmax. Therefore, the equilibriumwill move to heavy isotopic at the lower temperature and to light isotopic at the higher temperature. This result is in agreementwith that of reference with different methods.