Wendy W. Chen, Thomas C. Galvin, Thomas J. Houlahan, and J. Gary Eden ANALYSIS OF VIBRONIC EMISSION SPECTRA OF SCANDIUM MONOIODIDE PRODUCED BY PHOTODISSOCIATION OF ScI3 Wendy W. Chen, Thomas C. Galvin, Thomas J. Houlahan, and J. Gary Eden UNIVERSITY OF ILLINOIS June 16, 2014

OVERVIEW Fluorescence of scandium monoiodide (ScI) was generated by photodissociation of ScI3 at 248 nm (KrF laser) Resolution of spectra is ~0.07 nm over the 300 - 930 nm range. Accuracy of line positions is ~1.9 cm-1 New electronic transitions were observed and vibrationally analyzed

MOTIVATION Scandium is the first transition metal element. The influence of d electron on excited state structure is of interest Scandium monohalide plays an important role for development of metal halide lamps

PREVIOUSLY REPORTED ELECTRONIC STATES OF ScI Singlets Triplets

EXPERIMENTAL SETUP

PANORAMIC VIEW: 300 – 1000 nm

PREVIOUSLY REPORTED RANGE

SPECTRA IN 455 nm REGION

VIBRATIONAL CONSTANTS ωe' = 229.1 cm-1 ωe'χe' = 0.79 cm-1 ωe'' = 221.3 cm-1 ωe''χe''= 0.72 cm-1 Te = 22065.6 cm-1 Root-mean-square (RMS) uncertainty is 0.2 cm-1 For comparison: ground state (X1Σ+)[1]: ωe = 277.187 cm-1 ωeχe = 0.833 cm-1 [1] Z.H. Xia et.al, Journal of Molecular Spectroscopy 268 (2011)

SPECTRA IN 913 nm REGION

VIBRATIONAL CONSTANTS (GROUP A) Simulating observed spectrum with reported state constants, the minimum RMS uncertainty achieved is 0.1 cm-1 for the 3Π state: ωe'' = 273.3 cm-1 ωe''χe''= 0.700 cm-1 Te'' = 21078.1 cm-1 Simulated constants obtained for the upper state: ωe' = 277.7 cm-1 ωe'χe' = 0.72 cm-1 Te' = 32001.4 cm-1

SPECTRA IN 890 - 920 nm RANGE (GROUP B)

VIBRATIONAL CONSTANTS (GROUP B) ωe' = 235.3 cm-1 ωe'χe' = 0.82 cm-1 ωe'' = 229.3 cm-1 ωe''χe''= 0.67 cm-1 Te = 11180.6 cm-1 RMS uncertainty is 0.2 cm-1

CONCLUSION Spectra of the ScI molecule from 300 nm to 1000 nm with KrF excimer laser (248 nm) photoexcitation were reported Several new electronic and vibrational transitions of ScI were observed and analyzed