Suggestion for the search for TiH2 molecule in an interstellar molecular cloud

Abstract

Two molecules TiH and TiO, bearing titanium, were discovered in the year 1979 in the atmosphere of cool M‐type stars. Now, TiO2 has been discovered in the environment of the red supergiant VY CMa. A natural question therefore arises for the search of TiH2 in an interstellar molecular cloud. Detection of TiH2is quite probable as the cosmic abundance of hydrogen is about 1,900 times that of oxygen. Using GAUSSIAN 2009, we have calculated the rotational and centrifugal distortion constants, and electric dipole moment of TiH2, where B3LYP method and cc‐pVtz basis are used. Using these physical parameters, we have calculated the energies of rotational levels, and the intensities and Einstein A‐coefficients for the transitions between the levels. We have found a large number of lines which may help in the identification of titanium dihydride (TiH2) in an interstellar molecular cloud.