Reference Label Details
note H3+ZPE of H3+ is given by Meyer 1986 as 4353.5 cm-1 and compared to exp. fundamentals (also Miller 1987 using the surface of Meyer 1986 reports 4363.501 +- 0.5 cm-1); ortho-H3+ (I=3/2) J=0 G=0 a.k.a. (0,0) is wiped out, as is (2,0), lowest is (1,0) 86.960 cm-1, next (3,3) at 315.349; para-H3+ (I=1/2) (1,1) is lowest at 64.121 cm-1, (2,2) at 169.295, (2,1) at 237.4 cm-1 (see Kreckel 2005, Plasil 2005 for good figures); so that, in the end, p-H3+ is more stable than o-H3+ by 22.839 cm-1= 0.065 kcal/mol; all Eatomiz need to additionally decreased by 64.121 cm-1 or 0.183 kcal/mol. Lindsay 2001 reports even more accurate values from fitting all available spectra: lowest level (para) is (1,1) at 64.1214 +- 0.0056 cm-1, ortho-para separation is 22.8389 +- 0.0056 cm-1.
Cencek 1998W. Cencek, J. Rychlewski, R. Jaquet, and W. Kutzelnigg, J. Chem. Phys. 108, 2831 (1998)
Jaquet 1998R. Jaquet, W. Cencek, W. Kutzelnigg, and J. Rychlewski, J. Chem. Phys. 108, 2837 (1998)
Lindsay 2001C. M. Lindsay and B. J. McCall, J. Mol. Spectrosc. 210, 60 (2001)
Rohse 1993R. Röhse, W. Klopper, and W. Kutzelnigg, J. Chem. Phys. 99, 8830 (1993)