Electronic transition moment of the CN(A 2П 1X 2Σ +) emission. Analysis of dependence on the internuclear distance

Abstract

The electronic transition moment, R e( R), of CN(A 2П i-X 2Σ +) emission is determined as a function of the internuclear distance, R, as R e (R)/( arbitrary units) = 1 + 3.75(92)( R A ̊ − 1.2) 2 , where 0.956 A ̊ ⩽ R ⩽ 1.258 A ̊ . A simultaneous analysis of the intensity distribution of its rotationally-resolved emission spectrum observed in this work and those reported by Dixon and Nicholls [Can. J. Phys. 36(1958) 127] and LeBlanc [J. Chem. Phys. 48(1968) 1980] is used. The R-dependences of R e( R), the spin-orbit interaction A 2П i, A( R), and the A 2П i ∼ X 2Σ + off-diagonal spin-orbit interaction, H SO e1( R), reported in our previous studies are analyzed simultaneously to evaluate the coefficients of the 2p(N), 2s(C), and 2p(C) atomic orbitals in the 1π and 5σ LCAO molecular orbitals.