Article ID Journal Published Year Pages File Type
5376743 Chemical Physics 2006 8 Pages PDF
Abstract
The 30u+(43P1)-state potential parameters of Zn2 were determined (ωe′=20.6cm−1,ωe′xe′=0.58cm−1,De′=182.6cm−1,Re′=4.58Å) from vibrational progressions recorded in an excitation spectrum. The molecules were produced in a free-jet supersonic beam using two different carriers, Ar and Kr, and were excited from the X10g+ ground state directly to the 30u+ state using a dye-laser. Analysis of the recorded vibrational progressions yielded also information on the X10g+-state potential parameters (ωe″=25.9cm−1,ωe″xe″=0.69cm−1,De″=242cm−1,Re″=4.19Å). Natural isotopic composition of Zn2 was included in the analysis. Valence ab initio calculations of the potential energy curves for the ground and several excites states were performed, taking relativistic and spin-orbit effects into account. The possibility of ZnAr or ZnKr excitation in the beam was also analyzed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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