Calculation of inertia defect

Absorption spectra of AsH2 radical in 435–510nm by cavity ringdown spectroscopy

“…An approximate formula for the inertial defect derived by Oka et al [11] can be used to check our results. The expression for the inertial defect of C 2v triatomic molecules can be written as…”

Submillimeter-Wave Spectra of H2Cl+ and its Isotopic Species: Molecular Structure

“…For H 2 Cl + , centrifugal distortion constants are available for the three isotopic species and inertial defects in the vibrationally excited states as well as in the ground state. Among them, differences between the inertial defects in the vibrationally excited states and in the ground state are useful in the determination of the force field because the differences in the inertial defects mainly arise due to Coriolis terms (15,16). Therefore, the harmonic force field was determined in the present study from predicted harmonic frequencies (7), and changes of inertial defects by excitation of vibrational modes (3).…”

Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy

“…The inertial defect is made up of three parts, resulting from vibration and electronic motion and centrifugal distortions. 68,69 The centrifugal distortion part is usually negligible for low rotational levels. The vibrational part, ∆ vib 0 , is a Coriolis effect; the electronic part, ∆ el 0 , results from off diagonal matrix elements of the orbital angular momentum operator.…”

“…The expression for ∆ vib 0 for molecules having C 2V -symmetry (e.g., SiH 2 and SiD 2 ) is well documented. 69 The expression for C s -symmetry molecule (e.g., SiHD) is readily obtained from the general expression 68 and symmetry constraints 70 to be…”