1. HCl, d 3  1 PC(AK)/C:,.....HCl-Triplet states-270108ak.ppt Agust,heima,...HCl-Potentials-270108ak.pxp Agust, heima,...HCl-Triplet states.xls PC(AK)/C:,.....Experiment-250108ej.pxp 1)Morse potential for exp pot. 2)Comparison of exp and Calc. (EJ) pot.

2. Coefficient values ± one standard deviation a = 2767 ± Nan b = -126.2 ± Nan We = 2767 cm-1 Wexe = 126.2/2 = 63.1 cm-1 DG V+1

3. Coefficient values ± one standard deviation a = 10.082 ± Inf = Be1 b = -0.835 ± Inf Bv V+1/2

4. Bv Coefficient values ± one standard deviation a = 10.4 ± 0.377 = Be2 b = -1.217 ± 0.221 = -alfae V+1/2

5. HCl, d statecm-1ref: nju0(v=0)81773.1Green, page 343 we2767agust,heima,...HCl-Triplet states.pxp wexe63.1agust,heima,...HCl-Triplet states.pxp De30333.95008we*we/(4*wexe) B09.664Green, ca page 313 B18.829Green, ca page 314 B27.23Green, ca page 314 h6.6262E-27erg s c29979200000.0000cm s-1 NA6.0221E+23mol-1 m0.9796g mol-1 Be110.0800cm-1 Be210.4000cm-1 re11.306617205A T080405.375cm-1 beta1.914730735A-1 Dnjuv+1 nju(0)81773.1cm-1 nju(1)84413.92640.81 nju(2)86928.52514.62 Ud(r) = 80405.375+30333.95008(1-exp(-1.914730735*(r-1.306617205)))**2

7. d 3  1 f 3  2 F 1  2 C1C1

8. Red dots: calc. EJ Blue = Morse fits Black = exp. f3  2 (Morse) Green: exp. 3  1 (Morse)