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The B1E" state of NH2D and ND2H

The work is described in A.K. Saha, G. Sarma, C-H Yang, S. van de Meerakker, D.H. Parker and C.M. Western, Phys. Chem. Chem. Phys., (2015), doi:10.1039/C5CP01299F and C. H. Yang, G. Sarma, A. K. Saha, D. H. Parker and C. M. Western, Phys. Chem. Chem. Phys., 15, 6390 (2013), doi:10.1039/c3cp00012e. It is 2+1 multiphoton ionization electronic spectrum, made slightly more complicated as both the upper and lower electronic state have two interacting vibrational or vibronic states. See also The Jahn-Teller effect in the B state of NH3 for the vibrational energy levels.

Data Files

Both the .pgo files and the linelist files used as input to the published fits are given here. Note the use of a constrain statement to force the C values in the two upper states to be identical:

Constrain NH3.ND2H.B.B1.C := NH3.ND2H.B.A2.C
0 NH2D_B0X0_fit.pgo NH2D_B0X0.lin ND2H_b0x0_fitIII.pgo ND2H_b0x0.lin
1 NH2D_B1X0_fit.pgo NH2D_B1X0.lin ND2H_b1x0.pgo ND2H_b1x0.lin
2 NH2D_B2X0_fit.pgo NH2D_B2X0.lin ND2H_b2x0.pgo ND2H_b2x0.lin
3 NH2D_B3X0_fit.pgo NH2D_B3X0.lin ND2H_b3x0.pgo ND2H_b3x0.lin
4 NH2D_B4X0_fit.pgo NH2D_B4X0.lin ND2H_b4x0.pgo ND2H_b4x0.lin
5 NH2D_B5X0_fit.pgo NH2D_B5X0.lin ND2H_b5x0.pgo ND2H_b5x0.lin

ND2H_b6x0.pgo ND2H_b6x0.lin