• C G Mahajan

      Articles written in Pramana – Journal of Physics

    • Dissociation energy of diatomic molecules

      Sarvpreet Kaur C G Mahajan

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      The dissociation energy of twelve diatomic molecules has been determined by fitting four-parameter potential functionU(r)=De[[1−exp{−b(rre)}]/ [1−Cexp{−b(rre)}]]2 to the true Rydberg-Klein-Rees (RKR) curves for their fifteen electronic states using the mean square deviation as the criterion for the selection of the best fit. Average deviation ofDe has been found to be 2.7% as compared to 20.5% obtained with Lippincott’s potential function for these molecules. In addition the anharmonocity constantωexe has also been calculated for the same electronic states yielding average mean deviation 8.9%.

    • Universal relation between spectroscopic constants

      Sarvpreet Kaur C G Mahajan

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      A universal relation between the Sutherland parameter, Δ (= kere/2/2De) and the dimensionless parameter G (= 8ωexe/Be), has been established using 40 electronic states, which include ground as well as excited states of polar and non-polar molecules. This relation is used to predict the dissociation energy of four lowest electronic states of S2 molecule. The respective values for the states X3Σg/−, a1Δg, b1Σg/+ and B3Σu/− turn out to be 36557, 31431, 28247 and 13429 cm−1, and are in good agreement with the experimental values. Furthermore, metastable states a1Δg and b1Σg/+ of S2 are shown to dissociate into 3P1 + 3P1 as against the dissociation of X3Σg/− into 3P2 + 3P1. In addition, a relation between Sutherland parameter Δ and internuclear distance re, viz., Δ=2.2re has been obtained for the ground state of alkali diatomic molecules.

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