ELECTRONIC-TRANSITION MOMENT OF THE CN(A(2)PI(I)CHI(2)SIGMA(- ANALYSIS OF DEPENDENCE ON THE INTERNUCLEAR DISTANCE()) EMISSION )

Citation
H. Ito et al., ELECTRONIC-TRANSITION MOMENT OF THE CN(A(2)PI(I)CHI(2)SIGMA(- ANALYSIS OF DEPENDENCE ON THE INTERNUCLEAR DISTANCE()) EMISSION ), Journal of molecular structure, 352, 1995, pp. 525-532
Citations number
38
Categorie Soggetti
Chemistry Physical
ISSN journal
00222860
Volume
352
Year of publication
1995
Pages
525 - 532
Database
ISI
SICI code
0022-2860(1995)352:<525:EMOTCA>2.0.ZU;2-Z
Abstract
The electronic transition moment, R(e)(R), of CN(A(2) Pi(i)-X(2) Sigma (+)) emission is determined as a function of the internuclear distance , R, as R(e)(R)/(arbitrary units) = 1 + 3.75(92)(R/Angstrom - 1.2)(2), where 0.956 Angstrom less than or equal to R less than or equal to 1. 258 Angstrom. 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(2) Pi(i), A(R), and the A(2) Pi( i) similar to X(2) Sigma(+) off-diagonal spin-orbit interaction, H-el( SO)(R), reported in our previous studies are analyzed simultaneously t o evaluate the coefficients of the 2p(N), 2s(C), and 2p(C) atomic orbi tals in the 1 pi and 5 sigma LCAO molecular orbitals.