Fourier transform spectra of the E-2 Pi(u)-X-2 Pi(g(3/2)) system of CuCl2 - 2. Rovibronic levels of the ground state up to 4000 cm(-1)

Citation
E. Bosch et al., Fourier transform spectra of the E-2 Pi(u)-X-2 Pi(g(3/2)) system of CuCl2 - 2. Rovibronic levels of the ground state up to 4000 cm(-1), J MOL SPECT, 202(2), 2000, pp. 253-261
Citations number
22
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF MOLECULAR SPECTROSCOPY
ISSN journal
00222852 → ACNP
Volume
202
Issue
2
Year of publication
2000
Pages
253 - 261
Database
ISI
SICI code
0022-2852(200008)202:2<253:FTSOTE>2.0.ZU;2-5
Abstract
High-resolution Fourier transform spectra of the laser-induced fluorescence of (CuCl2)-Cu-63-Cl-37 produced in a cell have been recorded following exc itation of a single vibronic level of the E(2)Pi(u), electronic state. Fluo rescence occurs in combination bands 1(v1)(v1)2(v2)(v1)3(v3)(v1) to a broad spread of levels in the ground electronic state. A global vibronic model i s proposed for the ground state based on an effective Hamiltonian, which fi ts the experimental data (2782 fluorescence lines, lower state quantum numb ers: nu(1) = 0-6, nu(2) = 0-2, nu(3) = 0-6, and J = 4 1/2-80 1/2) to 0.019 cm(-1) rms error. Vibrational, rotational and Renner-Teller parameters are obtained (e.g., omega(2) = 95.195(36) cm(-1), B-e = 0.055106(3) cm(-1), eps ilon = -0.1893(28)). A revised value for the equilibrium internuclear dista nce Cu-Cl is deduced: r(e)(Cu-Cl) = 0.20341(3) nm. The energy diagram of vi bronic levels in the ground state is plotted up to 4000 cm(-1). (C) 2000 Ac ademic Press.