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
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.