Date: 5/ 9/ 1999 Computed by: Russ Laher California Institute Of Technology Infrared Processing and Analysis Center Mail Code 100-22 Pasadena, CA 91125 Tel.: (626) 397-7028 laher@ipac.caltech.edu NO (C 2P --> A 2S + ) HEATH SYSTEM SPECTROSCOPIC CONSTANTS: UPPER STATE: C 2P EQ. ENERGY: Te = 51123.0 CM-1 VIB ENERGY: GV = ( 2.38480E+03)(V+.5) -( 1.6410E+01)(V+.5)**2 +( 0.000E+00)(V+.5)**3+( 0.00E+00)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Gal&Dres82 ROT CONST : BV = ( 2.01120)-( 0.031600)(V+.5)+( 0.00E+00)(V+.5)**2 +( 0.00E+00)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Gal&Dres82 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.059534 Angstroms DISSOCIATION ENERGY: De = 84553. CM-1 LOWER STATE: A 2S + EQ. ENERGY: Te = 42957.3 CM-1 VIB ENERGY: GV = ( 2.37431E+03)(V+.5) -( 1.6106E+01)(V+.5)**2 +( -4.650E-02)(V+.5)**3+( 0.00E+00)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Hub&Herz79 ROT CONST : BV = ( 1.99650)-( 0.019150)(V+.5)+( 0.00E+00)(V+.5)**2 +( 0.00E+00)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Hub&Herz79 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.063427 Angstroms DISSOCIATION ENERGY: De = 81890. CM-1 SPECTROSCOPIC CALCULATIONS: 1 WAVELENGTH (MICRONS) 2 WAVENUMBER (CM-1) 3 FRANCK-CONDON FACTOR REF: ESPY 88 FCF CODE 4 R CENTROID (ANGSTROMS) REF: ESPY 88 FCF CODE 5 ELECT TR MOMENT, RE(AU) REF: Re=CONST., normalized to b.r.=0.32 to A state RE = 0.000E+00 EXP(- 0.000(R - 0.00)**2) + ( 3.590E+00) + ( 0.000E+00) * EXP(- 0.000* R) + ( 0.000E+00) * R + ( 0.000E+00) * R**2 6 TRANSITION PROBABILITY (SEC-1) (By r-centroid method) 7 TRANSITION PROBABILITY (SEC-1) (By integrating the product of the wavefunctions and Re(r) from V'V" 0 1 2 3 4 5 6 7 8 9 10 0 1.2232 1.7142 2.8373 8.0118 -10.0513 -3.1206 -1.8586 -1.3294 -1.0385 -0.8545 -0.7278 8175.5 5833.6 3524.4 1248.2 -994.9 -3204.5 -5380.3 -7522.0 -9629.4 -11702.2 -13740.1 9.99E-01 1.26E-03 1.27E-05 4.16E-05 1.66E-05 3.81E-06 6.52E-07 8.20E-08 5.48E-09 9.36E-12 6.70E-10 1.0662 0.1994 0.2306 1.1258 0.9781 0.9125 0.8569 0.7883 0.6352 4.2039 1.0774 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 1.42E+07 6.52E+03 1.45E+01 2.11E+00 -8.51E-01 -6.55E+00 -5.30E+00 -1.82E+00 -2.56E-01 -7.84E-04 -9.07E-02 1.42E+07 6.52E+03* 1.45E+01* 2.11E+00* -8.51E-01* -6.55E+00* -5.30E+00* -1.82E+00* -2.56E-01* -7.84E-04* -9.07E-02* 1 0.9498 1.2215 1.7015 2.7771 7.3645 -11.7412 -3.3031 -1.9345 -1.3743 -1.0696 -0.8782 10528.3 8186.4 5877.2 3600.9 1357.9 -851.7 -3027.5 -5169.2 -7276.6 -9349.4 -11387.3 1.26E-03 9.98E-01 1.44E-04 4.40E-07 1.88E-04 7.06E-05 1.67E-05 2.86E-06 3.22E-07 1.04E-08 4.11E-09 1.9372 1.0758 -2.5644 -3.3488 1.0879 0.9616 0.8997 0.8404 0.7523 0.4044 1.3045 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.85E+04 1.43E+07 7.63E+02 5.37E-01 1.23E+01 -2.28E+00 -2.42E+01 -2.06E+01 -6.47E+00 -4.44E-01 -3.17E-01 3.85E+04* 1.43E+07 7.63E+02* 5.37E-01* 1.23E+01* -2.28E+00* -2.42E+01* -2.06E+01* -6.47E+00* -4.44E-01* -3.17E-01* 2 0.7783 0.9518 1.2199 1.6889 2.7189 6.8102 -14.1360 -3.5098 -2.0175 -1.4226 -1.1029 12848.3 10506.5 8197.3 5921.0 3677.9 1468.4 -707.4 -2849.2 -4956.6 -7029.3 -9067.2 1.16E-05 1.54E-04 9.98E-01 1.04E-03 2.50E-05 5.05E-04 1.76E-04 4.14E-05 6.68E-06 5.76E-07 5.18E-11 1.4952 4.5889 1.0856 2.7474 1.2734 1.0614 0.9453 0.8852 0.8182 0.6853 -12.4740 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 6.41E+02 4.67E+03 1.44E+07 5.64E+03 3.25E+01 4.17E+01 -3.26E+00 -5.00E+01 -4.25E+01 -1.04E+01 -2.02E-03 6.41E+02* 4.67E+03* 1.44E+07 5.64E+03* 3.25E+01* 4.17E+01* -3.26E+00* -5.00E+01* -4.25E+01* -1.04E+01* -2.02E-03* 3 0.6607 0.7816 0.9538 1.2183 1.6764 2.6626 6.3294 -17.7995 -3.7464 -2.1088 -1.4749 15135.7 12793.8 10484.6 8208.4 5965.3 3755.7 1579.9 -561.8 -2669.2 -4742.0 -6779.9 3.56E-05 5.51E-06 9.49E-04 9.89E-01 8.47E-03 1.37E-04 1.04E-03 3.32E-04 7.42E-05 1.05E-05 4.82E-07 1.0399 3.0794 -0.6421 1.0956 1.7651 0.8351 1.0430 0.9286 0.8678 0.7850 0.5127 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.22E+03 3.01E+02 2.85E+04 1.43E+07 4.69E+04 1.89E+02 1.07E+02 -3.07E+00 -7.37E+01 -5.82E+01 -7.85E+00 3.22E+03* 3.01E+02* 2.85E+04* 1.43E+07 4.69E+04* 1.89E+02* 1.07E+02* -3.07E+00* -7.37E+01* -5.82E+01* -7.85E+00* 4 0.5750 0.6645 0.7850 0.9558 1.2166 1.6639 2.6080 5.9081 -24.1070 -4.0199 -2.2097 17390.1 15048.2 12739.0 10462.8 8219.7 6010.1 3834.3 1692.6 -414.8 -2487.6 -4525.5 1.42E-05 1.43E-04 1.30E-05 7.60E-03 9.62E-01 2.71E-02 3.11E-04 1.81E-03 5.11E-04 1.04E-04 1.13E-05 0.9574 0.9993 -1.5842 0.3962 1.1060 1.5187 0.5916 1.0316 0.9103 0.8454 0.7280 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 1.95E+03 1.27E+04 7.03E+02 2.27E+05 1.40E+07 1.54E+05 4.57E+02 2.29E+02 -1.91E+00 -8.37E+01 -5.49E+01 1.95E+03* 1.27E+04* 7.03E+02* 2.27E+05* 1.40E+07 1.54E+05 4.57E+02* 2.29E+02* -1.91E+00* -8.37E+01* -5.49E+01* 5 0.5099 0.5791 0.6684 0.7884 0.9578 1.2149 1.6514 2.5552 5.5364 -37.5168 -4.3395 19611.1 17269.3 14960.1 12683.8 10440.7 8231.2 6055.4 3913.6 1806.2 -266.5 -2304.4 3.97E-06 7.85E-05 3.71E-04 2.47E-04 2.30E-02 9.11E-01 6.12E-02 4.31E-04 2.76E-03 6.70E-04 1.17E-04 0.9071 0.9553 0.9552 0.0724 0.6630 1.1170 1.4093 0.2943 1.0266 0.8889 0.8136 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 7.81E+02 1.06E+04 3.25E+04 1.32E+04 6.84E+05 1.33E+07 3.55E+05 6.75E+02 4.25E+02 -6.62E-01 -7.47E+01 7.81E+02* 1.06E+04* 3.25E+04* 1.32E+04* 6.84E+05 1.33E+07 3.55E+05 6.75E+02* 4.25E+02* -6.62E-01* -7.47E+01* 6 0.4588 0.5140 0.5832 0.6725 0.7919 0.9599 1.2132 1.6391 2.5042 5.2069 -85.2144 21798.2 19456.4 17147.2 14870.9 12627.8 10418.3 8242.5 6100.7 3993.3 1920.5 -117.4 1.32E-06 2.81E-05 2.54E-04 8.02E-04 1.21E-03 4.81E-02 8.31E-01 1.14E-01 3.62E-04 3.80E-03 7.54E-04 0.8927 0.9133 0.9498 0.9127 0.4216 0.7892 1.1289 1.3494 -0.2874 1.0287 0.8619 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.56E+02 5.40E+03 3.35E+04 6.88E+04 6.34E+04 1.42E+06 1.21E+07 6.76E+05 6.03E+02 7.03E+02 -6.36E-02 3.56E+02* 5.40E+03* 3.35E+04* 6.88E+04* 6.34E+04* 1.42E+06 1.21E+07 6.76E+05 6.03E+02* 7.03E+02* -6.36E-02* 7 0.4175 0.4628 0.5181 0.5874 0.6766 0.7955 0.9620 1.2117 1.6271 2.4552 4.9139 23950.6 21608.8 19299.6 17023.3 14780.2 12570.7 10394.9 8253.1 6145.7 4072.9 2035.0 5.34E-07 1.09E-05 1.11E-04 6.27E-04 1.56E-03 3.67E-03 8.14E-02 7.21E-01 1.86E-01 1.09E-04 4.80E-03 0.8930 0.8972 0.9174 0.9415 0.8766 0.5841 0.8654 1.1422 1.3130 -2.5384 1.0390 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 1.91E+02 2.87E+03 2.09E+04 8.08E+04 1.31E+05 1.90E+05 2.39E+06 1.06E+07 1.13E+06 1.92E+02 1.06E+03 1.91E+02* 2.87E+03* 2.09E+04* 8.08E+04* 1.31E+05* 1.90E+05* 2.39E+06 1.06E+07 1.13E+06 1.92E+02* 1.06E+03* V'V" 11 12 13 14 15 16 17 18 19 20 21 0 -0.6352 -0.5647 -0.5091 -0.4643 -0.4274 -0.3965 -0.3703 -0.3478 -0.3282 -0.3111 -0.2961 -15742.8 -17710.1 -19641.6 -21537.2 -23396.4 -25219.2 -27005.2 -28754.3 -30466.1 -32140.7 -33778.0 8.37E-10 6.60E-10 4.36E-10 2.55E-10 1.27E-10 4.87E-11 1.05E-11 5.06E-14 3.83E-12 1.07E-11 1.42E-11 0.9624 0.9212 0.9015 0.8903 0.8805 0.8652 0.8236 -0.1512 1.0067 0.9510 0.9308 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -1.70E-01 -1.91E-01 -1.73E-01 -1.33E-01 -8.49E-02 -4.08E-02 -1.08E-02 -6.29E-05 -5.65E-03 -1.85E-02 -2.85E-02 -1.70E-01* -1.91E-01* -1.73E-01* -1.33E-01* -8.49E-02* -4.08E-02* -1.08E-02* -6.29E-05* -5.65E-03* -1.85E-02* -2.85E-02* 1 -0.7468 -0.6512 -0.5784 -0.5213 -0.4752 -0.4373 -0.4056 -0.3788 -0.3557 -0.3357 -0.3182 -13390.0 -15357.3 -17288.9 -19184.4 -21043.7 -22866.4 -24652.5 -26401.5 -28113.4 -29788.0 -31425.2 1.14E-08 1.08E-08 7.43E-09 4.34E-09 2.16E-09 8.54E-10 2.12E-10 7.84E-12 3.34E-11 1.23E-10 1.79E-10 1.0084 0.9410 0.9102 0.8923 0.8787 0.8626 0.8273 0.5564 1.0436 0.9596 0.9350 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -1.43E+00 -2.03E+00 -2.00E+00 -1.60E+00 -1.05E+00 -5.33E-01 -1.66E-01 -7.53E-03 -3.87E-02 -1.70E-01 -2.90E-01 -1.43E+00* -2.03E+00* -2.00E+00* -1.60E+00* -1.05E+00* -5.33E-01* -1.66E-01* -7.53E-03* -3.87E-02* -1.70E-01* -2.90E-01* 2 -0.9033 -0.7670 -0.6681 -0.5930 -0.5341 -0.4867 -0.4478 -0.4153 -0.3877 -0.3641 -0.3436 -11070.0 -13037.2 -14968.8 -16864.3 -18723.6 -20546.4 -22332.4 -24081.4 -25793.3 -27467.9 -29105.2 5.99E-08 8.26E-08 6.42E-08 3.90E-08 1.98E-08 8.03E-09 2.20E-09 1.74E-10 1.26E-10 7.06E-10 1.13E-09 1.0978 0.9715 0.9250 0.8993 0.8810 0.8623 0.8290 0.6746 1.1213 0.9722 0.9394 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -4.24E+00 -9.56E+00 -1.12E+01 -9.77E+00 -6.77E+00 -3.64E+00 -1.28E+00 -1.27E-01 -1.13E-01 -7.64E-01 -1.46E+00 -4.24E+00* -9.56E+00* -1.12E+01* -9.77E+00* -6.77E+00* -3.64E+00* -1.28E+00* -1.27E-01* -1.13E-01* -7.64E-01* -1.46E+00* 3 -1.1386 -0.9302 -0.7886 -0.6860 -0.6084 -0.5477 -0.4989 -0.4588 -0.4254 -0.3971 -0.3729 -8782.6 -10749.9 -12681.4 -14577.0 -16436.2 -18259.0 -20045.0 -21794.1 -23506.0 -25180.5 -26817.8 1.00E-07 3.71E-07 3.62E-07 2.40E-07 1.27E-07 5.36E-08 1.61E-08 2.05E-09 1.89E-10 2.64E-09 4.91E-09 1.3874 1.0226 0.9477 0.9113 0.8872 0.8651 0.8328 0.7312 1.3574 0.9930 0.9469 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -3.54E+00 -2.41E+01 -3.85E+01 -3.88E+01 -2.94E+01 -1.71E+01 -6.79E+00 -1.11E+00 -1.28E-01 -2.20E+00 -4.94E+00 -3.54E+00* -2.41E+01* -3.85E+01* -3.88E+01* -2.94E+01* -1.71E+01* -6.79E+00* -1.11E+00* -1.28E-01* -2.20E+00* -4.94E+00* 4 -1.5318 -1.1771 -0.9590 -0.8115 -0.7051 -0.6248 -0.5621 -0.5118 -0.4706 -0.4362 -0.4071 -6528.2 -8495.5 -10427.0 -12322.6 -14181.8 -16004.6 -17790.6 -19539.7 -21251.6 -22926.1 -24563.4 4.34E-08 9.17E-07 1.43E-06 1.11E-06 6.32E-07 2.84E-07 9.39E-08 1.64E-08 1.16E-13 6.91E-09 1.60E-08 -1.0026 1.1273 0.9827 0.9298 0.8977 0.8719 0.8402 0.7651 43.0140 1.0296 0.9580 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -6.31E-01 -2.93E+01 -8.45E+01 -1.08E+02 -9.41E+01 -6.08E+01 -2.76E+01 -6.41E+00 -5.81E-05 -4.35E+00 -1.24E+01 -6.31E-01* -2.93E+01* -8.45E+01* -1.08E+02* -9.41E+01* -6.08E+01* -2.76E+01* -6.41E+00* -5.81E-05* -4.35E+00* -1.24E+01* 5 -2.3217 -1.5938 -1.2186 -0.9900 -0.8361 -0.7255 -0.6423 -0.5774 -0.5255 -0.4830 -0.4476 -4307.2 -6274.4 -8206.0 -10101.5 -11960.8 -13783.6 -15569.6 -17318.6 -19030.5 -20705.1 -22342.4 7.59E-06 6.70E-07 3.81E-06 3.94E-06 2.56E-06 1.25E-06 4.54E-07 1.02E-07 3.62E-09 1.22E-08 4.14E-08 0.6017 1.5527 1.0414 0.9565 0.9143 0.8825 0.8496 0.7924 0.4090 1.1063 0.9766 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -3.17E+01 -8.64E+00 -1.10E+02 -2.12E+02 -2.29E+02 -1.70E+02 -8.95E+01 -2.77E+01 -1.30E+00 -5.66E+00 -2.41E+01 -3.17E+01* -8.64E+00* -1.10E+02* -2.12E+02* -2.29E+02* -1.70E+02* -8.95E+01* -2.77E+01* -1.30E+00* -5.66E+00* -2.41E+01* 6 -4.7168 -2.4466 -1.6614 -1.2635 -1.0232 -0.8623 -0.7472 -0.6609 -0.5937 -0.5400 -0.4961 -2120.1 -4087.3 -6018.9 -7914.4 -9773.7 -11596.5 -13382.5 -15131.5 -16843.4 -18518.0 -20155.3 1.02E-04 1.58E-06 5.82E-06 1.07E-05 8.45E-06 4.67E-06 1.90E-06 5.15E-07 5.15E-08 1.01E-08 8.44E-08 0.7613 0.0455 1.1756 0.9973 0.9359 0.8987 0.8640 0.8128 0.6507 1.3362 1.0063 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 -5.07E+01 -5.65E+00 -6.63E+01 -2.76E+02 -4.12E+02 -3.80E+02 -2.38E+02 -9.31E+01 -1.29E+01 -3.35E+00 -3.61E+01 -5.07E+01* -5.65E+00* -6.63E+01* -2.76E+02* -4.12E+02* -3.80E+02* -2.38E+02* -9.31E+01* -1.29E+01* -3.35E+00* -3.61E+01* 7 309.3964 -5.1681 -2.5863 -1.7355 -1.3121 -1.0589 -0.8905 -0.7705 -0.6807 -0.6110 -0.5555 32.3 -1934.9 -3866.5 -5762.0 -7621.3 -9444.1 -11230.1 -12979.1 -14691.0 -16365.6 -18002.9 7.27E-04 6.18E-05 1.27E-06 2.01E-05 2.29E-05 1.47E-05 6.85E-06 2.25E-06 3.78E-07 3.48E-12 1.31E-07 0.8251 0.6535 2.0608 1.0704 0.9694 0.9177 0.8801 0.8379 0.7406 -43.5870 1.0638 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 3.59E+00 6.41E-04 -2.34E+01 -3.84E+00 -2.01E+02 -5.30E+02 -6.48E+02 -5.07E+02 -2.57E+02 -6.25E+01 -7.96E-04 -3.98E+01 6.41E-04* -2.34E+01* -3.84E+00* -2.01E+02* -5.30E+02* -6.48E+02* -5.07E+02* -2.57E+02* -6.25E+01* -7.96E-04* -3.98E+01* SUMS OVER F-C FACTORS AND EINSTEIN COEFFICIENTS POSITIVE INVERSE NEGATIVE INVERSE TRANSITION TRANSITION TRANSITION TRANSITION F-C FACTORS PROB (1/s) PROB (s) F-C FACTORS PROB (1/s) PROB (s) V' SUM OVER V" SUM OVER V" V" SUM OVER V' SUM OVER V' 0 1.000 1.426E+07 7.015E-08 0 1.000 0.000E+00 0.000E+00 1 1.000 1.434E+07 6.973E-08 1 1.000 0.000E+00 0.000E+00 2 1.000 1.437E+07 6.961E-08 2 1.000 0.000E+00 0.000E+00 3 1.000 1.436E+07 6.963E-08 3 0.999 0.000E+00 0.000E+00 4 1.000 1.435E+07 6.967E-08 4 0.997 -8.513E-01 -1.175E+00 5 1.000 1.436E+07 6.962E-08 5 0.991 -8.831E+00 -1.132E-01 6 1.000 1.441E+07 6.938E-08 6 0.975 -3.281E+01 -3.047E-02 7 1.000 1.452E+07 6.886E-08 7 0.837 -7.552E+01 -1.324E-02 8 0.190 -1.248E+02 -8.015E-03 9 0.005 -1.535E+02 -6.513E-03 10 0.006 -1.379E+02 -7.250E-03 11 0.001 -9.240E+01 -1.082E-02 12 0.000 -1.029E+02 -9.723E-03 13 0.000 -3.166E+02 -3.159E-03 14 0.000 -8.481E+02 -1.179E-03 15 0.000 -1.302E+03 -7.680E-04 16 0.000 -1.281E+03 -7.807E-04 17 0.000 -8.700E+02 -1.149E-03 18 0.000 -3.851E+02 -2.596E-03 19 0.000 -7.697E+01 -1.299E-02 20 0.000 -1.651E+01 -6.058E-02 21 0.000 -1.191E+02 -8.396E-03