THE VISIBLE SPECTRUM OF ZIRCONIUM DIOXIDE, ZrO$_{2}$

Author Institution: Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287; Department of Chemistry, University of Basel, Basel, SwitzerlandZirconia (ZrO$_{2}$) is an important material with applications in microelectronics, catalysis, and ceramics. Previously the photoelectron spectrum {\textbf{10}}(4) 525 ,1999.}$^{,}$ {\textbf{109}} 11521, 2005} of the ZrO$_{2}$ anion and the pure rotation spectrum of the neutral {\textbf{11}}(8), 3526,1999} have been recorded and analyzed. Here we present the first observation of the visible spectrum of ZrO$_{2}$ via laser induced fluorescence (LIF) and resonance enhanced multi-photon ionization (REMPI). The LIF spectrum was recorded between 17000-18900 cm$^{-1}$ at a resolution of 0.2 cm$^{-1}$ using pulsed dye laser excitation and tentatively analyzed to give harmonic vibrational parameters $\omega$$_{1}$, $\omega$$_{2}$, and $\omega$$_{3}$ for the \~{A}$^{1}$B$_{2}$ state of 495(1) cm$^{-1}$, 150(3) cm$^{-1}$ and 1045(4) cm$^{-1}$, respectively. Dispersed fluorescence spectra of thirteen bands were recorded and analyzed to give harmonic vibrational parameters $\omega$$_{1}$, $\omega$$_{2}$, and $\omega$$_{3}$ for the X$^{1}$A$_{1}$ state of 898 (1) cm$^{-1}$, 287(3) cm$^{-1}$ and 808(4) cm$^{-1}$, respectively. The radiative lifetimes of numerous bands have been measured and analyzed. Franck-Condon factors were calculated and used to model the REMPI and excitation spectra. A comparison with TiO$_{2}$ is made {\textbf{12}} 15018, 2010}