ACCURATE DISSOCIATION ENERGIES FOR THE $X^{1}\Sigma^{+}$ STATES OF KI' AND CsH

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1987

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Ohio State University

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We have constructed a new hybrid potential energy curve for the X state of KH that includes scaled ab initio calculations at short range, RKR turning points in the potential well and proper long-range behavior. Then for the observed1 quasibound state (v=23,J=7, width = 0.40cm−1), we calculated line widths for varying binding energies. From a comparison with the experimental line width, we determined an improved dissociation energy Dc=14772.7±0.5cm−1. This result is 4.3cm−1 lower and eight times more precise than the best previous result based on A1Σ+X1Σ+ fluorescence experiments.1 A new hybrid potential was also constructed for the X state of CsH. From a comparison of the experimental line width2 for the observed quasibound state (v=25,J=11.width=0.6cm−1), we determined an improved dissociation energy De=14792.3±1.4cm−1. This result is 15.7cm−1 lower and three times more precise than (but outside the range of) the best previous result from A1Σ+X1Σ+ fluorescence studies.2

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1 K. Hussein, C. Effantin, J. D'Incan, J. Verges and R. F. Barrow, Chem. Phys. Lett. 124, 105 (1986). 2 C. Crepin, J. Verges and C. Amiot, Chem. Phys. Lett. 112, 10 (1984).


Author Institution: Department of Chemistry, Wartburg College; Iowa Laser Facility and Departments of Chemistry and Physics, University of Iowa

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