Spin_Orbit Coupling and Dissociation of CO2 Moleculesстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 28 января 2015 г.
Аннотация:Potential surfaces of the CO2 molecule for the ground and excited electronic states are cal_
culated by quantum chemistry methods. The calculation of the spin–orbit coupling in the molecule shows a
large the matrix element, which removes the prohibition for the dissociation–recombination process
CO2( ) + M ↔ CO( ) + O( ). + M. The barrier on the potential curve for 3B2, the energy of which exceeds the limit of dissociation into components in the ground states, explains the data on the dissociation
and recombination energies measured in experiments with shock tubes. The absorption cross section of CO2
molecules in the UV spectral region measured at high temperatures allowed us to plot branches of potential curves near their minima for two upper singlet states assigned to the and symmetry.