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 N2 (C 3PU --> B 3PG ) C-B (N=0) SYSTEM SPECTROSCOPIC CONSTANTS: UPPER STATE: C 3PU EQ. ENERGY: Te = 87961.2 CM-1 VIB ENERGY: GV = ( 2.04718E+03)(V+.5) -( 2.8445E+01)(V+.5)**2 +( 2.088E+00)(V+.5)**3+( -5.35E-01)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Lah&Gil 91 ROT CONST : BV = ( 1.82470)-( 0.018680)(V+.5)+(-2.28E-03)(V+.5)**2 +( 7.33E-04)(V+.5)**3+(-1.50E-04)(V+.5)**4 REF: Lah&Gil 91 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.148701 Angstroms DISSOCIATION ENERGY: De = 78889. CM-1 LOWER STATE: B 3PG EQ. ENERGY: Te = 58443.2 CM-1 VIB ENERGY: GV = ( 1.73438E+03)(V+.5) -( 1.4558E+01)(V+.5)**2 +( 1.400E-02)(V+.5)**3+( -1.13E-03)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Lah&Gil 91 ROT CONST : BV = ( 1.63802)-( 0.018302)(V+.5)+(-8.40E-06)(V+.5)**2 +(-3.40E-06)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Lah&Gil 91 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.212392 Angstroms DISSOCIATION ENERGY: De = 39495. 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: Gilmore et al. (1992) RE = 8.870E-01 EXP(- 3.300(R - 0.95)**2) + ( 0.000E+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 the TMF given above. V'V" 0 1 2 3 4 5 6 7 8 9 10 0 0.3370 0.3576 0.3804 0.4058 0.4344 0.4666 0.5032 0.5452 0.5938 0.6507 0.7182 29669.2 27963.9 26287.6 24640.4 23022.1 21432.8 19872.6 18341.5 16839.7 15367.2 13924.3 4.54E-01 3.27E-01 1.45E-01 5.12E-02 1.58E-02 4.49E-03 1.22E-03 3.22E-04 8.42E-05 2.20E-05 5.70E-06 1.1843 1.1466 1.1135 1.0830 1.0545 1.0277 1.0024 0.9788 0.9568 0.9359 0.9150 7.40E-01 7.81E-01 8.12E-01 8.37E-01 8.56E-01 8.70E-01 8.79E-01 8.85E-01 8.87E-01 8.86E-01 8.83E-01 1.32E+07 8.83E+06 3.53E+06 1.09E+06 2.86E+05 6.77E+04 1.50E+04 3.15E+03 6.41E+02 1.27E+02 2.43E+01 1.31E+07 8.84E+06 3.55E+06 1.10E+06 2.92E+05 6.97E+04* 1.55E+04* 3.29E+03* 6.73E+02* 1.34E+02* 2.58E+01* 1 0.3158 0.3338 0.3536 0.3754 0.3997 0.4268 0.4573 0.4917 0.5309 0.5760 0.6282 31663.9 29958.6 28282.4 26635.1 25016.8 23427.5 21867.3 20336.2 18834.4 17362.0 15919.1 3.92E-01 2.26E-02 2.05E-01 1.98E-01 1.10E-01 4.68E-02 1.71E-02 5.67E-03 1.77E-03 5.35E-04 1.58E-04 1.2285 1.2098 1.1550 1.1211 1.0904 1.0619 1.0354 1.0103 0.9863 0.9638 0.9428 6.87E-01 7.10E-01 7.72E-01 8.05E-01 8.31E-01 8.51E-01 8.66E-01 8.76E-01 8.83E-01 8.86E-01 8.87E-01 1.19E+07 6.21E+05 5.60E+06 4.93E+06 2.41E+06 8.83E+05 2.71E+05 7.43E+04 1.87E+04 4.46E+03 1.02E+03 1.19E+07 5.88E+05 5.54E+06 4.93E+06 2.43E+06 8.98E+05 2.78E+05 7.67E+04* 1.95E+04* 4.67E+03* 1.07E+03* 2 0.2976 0.3135 0.3309 0.3500 0.3710 0.3942 0.4201 0.4489 0.4814 0.5181 0.5600 33603.1 31897.8 30221.6 28574.3 26956.0 25366.7 23806.5 22275.4 20773.6 19301.2 17858.3 1.33E-01 3.42E-01 2.35E-02 6.43E-02 1.61E-01 1.39E-01 7.90E-02 3.61E-02 1.44E-02 5.27E-03 1.81E-03 1.2784 1.2395 1.1679 1.1652 1.1288 1.0976 1.0689 1.0424 1.0177 0.9939 0.9711 6.21E-01 6.73E-01 7.58E-01 7.61E-01 7.98E-01 8.25E-01 8.47E-01 8.62E-01 8.74E-01 8.81E-01 8.86E-01 3.93E+06 1.02E+07 7.57E+05 1.76E+06 4.07E+06 3.13E+06 1.55E+06 6.02E+05 2.00E+05 5.96E+04 1.64E+04 3.97E+06 1.01E+07 7.97E+05 1.71E+06 4.04E+06 3.13E+06 1.57E+06 6.14E+05 2.06E+05 6.18E+04* 1.71E+04* 3 0.2819 0.2961 0.3116 0.3284 0.3469 0.3671 0.3894 0.4141 0.4416 0.4723 0.5068 35476.5 33771.3 32095.0 30447.7 28829.4 27240.1 25679.9 24148.8 22647.0 21174.6 19731.7 2.02E-02 2.53E-01 2.11E-01 8.89E-02 5.03E-03 9.37E-02 1.31E-01 9.86E-02 5.53E-02 2.61E-02 1.10E-02 1.3415 1.2895 1.2551 1.1835 1.1892 1.1362 1.1047 1.0755 1.0487 1.0243 1.0012 5.35E-01 6.06E-01 6.52E-01 7.41E-01 7.34E-01 7.91E-01 8.20E-01 8.42E-01 8.59E-01 8.71E-01 8.79E-01 5.22E+05 7.24E+06 6.02E+06 2.79E+06 ( 1.32E+05) 2.40E+06 3.02E+06 2.00E+06 9.60E+05 3.81E+05 1.33E+05 5.27E+05 7.29E+06 5.94E+06 2.85E+06 1.15E+05* 2.35E+06 3.00E+06 2.01E+06 9.75E+05 3.90E+05 1.37E+05 4 0.2684 0.2812 0.2951 0.3102 0.3266 0.3445 0.3641 0.3856 0.4093 0.4355 0.4647 37263.1 35557.8 33881.5 32234.2 30615.9 29026.6 27466.4 25935.3 24433.5 22961.1 21518.2 9.48E-04 5.36E-02 3.30E-01 1.19E-01 1.16E-01 3.46E-03 4.02E-02 1.01E-01 1.01E-01 6.79E-02 3.72E-02 1.4569 1.3575 1.3027 1.2801 1.1862 1.1369 1.1422 1.1110 1.0818 1.0543 1.0295 3.80E-01 5.13E-01 5.88E-01 6.19E-01 7.38E-01 7.90E-01 7.85E-01 8.14E-01 8.38E-01 8.56E-01 8.69E-01 1.43E+04 1.28E+06 8.99E+06 3.10E+06 3.66E+06 ( 1.07E+05) 1.04E+06 2.37E+06 2.09E+06 1.22E+06 5.66E+05 1.38E+04* 1.30E+06 9.03E+06 3.03E+06 3.71E+06 1.23E+05* 9.99E+05 2.33E+06 2.09E+06 1.23E+06 5.77E+05 V'V" 11 12 13 14 15 16 17 18 19 20 21 0 0.7993 0.8986 1.0230 1.1831 1.3965 1.6949 2.1410 2.8791 4.3326 8.5055 129.5437 12511.2 11128.0 9775.0 8452.4 7160.6 5899.9 4670.7 3473.3 2308.1 1175.7 77.2 1.46E-06 3.68E-07 8.99E-08 2.11E-08 4.67E-09 9.10E-10 1.21E-10 9.41E-13 2.01E-11 5.40E-11 7.24E-11 0.8925 0.8670 0.8370 0.8006 0.7546 0.6867 0.5236 -2.0250 1.3877 1.1524 1.0901 8.77E-01 8.67E-01 8.50E-01 8.24E-01 7.82E-01 7.06E-01 4.87E-01 1.83E-13 4.71E-01 7.75E-01 8.31E-01 4.46E+00 7.72E-01 ( 1.23E-01)( 1.75E-02)( 2.12E-03)( 1.89E-04)( 5.91E-06)( 2.69E-33)( 1.11E-07)( 1.07E-07)( 4.67E-11) 4.79E+00* 8.43E-01* 1.38E-01* 2.06E-02* 2.68E-03* 2.73E-04* 1.53E-05* 8.57E-11* 5.10E-07* 1.51E-07* 5.41E-11* 1 0.6894 0.7620 0.8496 0.9572 1.0923 1.2667 1.5003 1.8288 2.3241 3.1541 4.8264 14505.9 13122.7 11769.7 10447.1 9155.4 7894.7 6665.4 5468.0 4302.8 3170.4 2071.9 4.62E-05 1.33E-05 3.73E-06 1.02E-06 2.64E-07 6.20E-08 1.20E-08 1.41E-09 3.20E-12 2.30E-10 5.06E-10 0.9224 0.9013 0.8782 0.8515 0.8178 0.7680 0.6773 0.4347 -5.9504 1.4721 1.1853 8.85E-01 8.80E-01 8.72E-01 8.59E-01 8.37E-01 7.95E-01 6.94E-01 3.69E-01 0.00E+00 3.61E-01 7.39E-01 2.24E+02 4.70E+01 9.37E+00 1.74E+00 ( 2.87E-01)( 3.91E-02)( 3.46E-03)( 6.36E-05)( 0.00E+00)( 1.93E-06)( 4.98E-06) 2.37E+02* 5.02E+01* 1.01E+01* 1.92E+00* 3.29E-01* 4.86E-02* 5.45E-03* 3.19E-04* 7.76E-08* 1.54E-05* 8.28E-06* 2 0.6081 0.6639 0.7295 0.8073 0.9013 1.0169 1.1622 1.3500 1.6020 1.9571 2.4931 16445.1 15061.9 13708.9 12386.3 11094.6 9833.9 8604.6 7407.2 6242.0 5109.6 4011.1 6.02E-04 1.95E-04 6.20E-05 1.91E-05 5.69E-06 1.61E-06 4.22E-07 9.32E-08 1.36E-08 3.10E-10 8.17E-10 0.9496 0.9295 0.9092 0.8867 0.8605 0.8290 0.7864 0.7117 0.5181 -1.0301 1.7755 8.87E-01 8.86E-01 8.82E-01 8.75E-01 8.64E-01 8.45E-01 8.12E-01 7.35E-01 4.79E-01 2.13E-06 9.36E-02 4.27E+03 1.06E+03 2.52E+02 5.64E+01 1.18E+01 ( 2.22E+00)( 3.59E-01)( 4.15E-02)( 1.53E-03)( 3.81E-16)( 9.36E-07) 4.49E+03* 1.12E+03* 2.68E+02* 6.07E+01* 1.29E+01* 2.52E+00* 4.33E-01* 5.91E-02* 4.87E-03* 4.07E-05* 1.06E-04* 3 0.5459 0.5905 0.6418 0.7013 0.7711 0.8542 0.9544 1.0775 1.2322 1.4320 1.6994 18318.5 16935.3 15582.3 14259.8 12968.0 11707.3 10478.0 9280.6 8115.4 6983.1 5884.5 4.29E-03 1.58E-03 5.63E-04 1.96E-04 6.62E-05 2.14E-05 6.52E-06 1.85E-06 4.74E-07 9.89E-08 1.13E-08 0.9784 0.9562 0.9354 0.9161 0.8956 0.8701 0.8369 0.7942 0.7367 0.6342 0.3056 8.85E-01 8.87E-01 8.86E-01 8.84E-01 8.78E-01 8.69E-01 8.50E-01 8.19E-01 7.63E-01 6.38E-01 2.25E-01 4.18E+04 1.22E+04 3.39E+03 8.98E+02 2.26E+02 5.24E+01 ( 1.10E+01)( 2.01E+00)( 2.99E-01)( 2.78E-02)( 2.36E-04) 4.35E+04* 1.28E+04* 3.58E+03* 9.53E+02* 2.41E+02* 5.72E+01* 1.25E+01* 2.43E+00* 4.04E-01* 5.02E-02* 2.91E-03* 4 0.4974 0.5341 0.5757 0.6232 0.6778 0.7411 0.8154 0.9036 1.0099 1.1403 1.3036 20105.0 18721.8 17368.8 16046.3 14754.5 13493.8 12264.5 11067.1 9901.9 8769.6 7671.0 1.78E-02 7.80E-03 3.17E-03 1.22E-03 4.57E-04 1.68E-04 5.96E-05 2.00E-05 6.15E-06 1.70E-06 4.14E-07 1.0071 0.9854 0.9632 0.9408 0.9201 0.9012 0.8811 0.8531 0.8102 0.7467 0.6572 8.78E-01 8.83E-01 8.86E-01 8.87E-01 8.84E-01 8.80E-01 8.73E-01 8.60E-01 8.32E-01 7.74E-01 6.68E-01 2.26E+05 8.09E+04 2.64E+04 8.05E+03 2.33E+03 6.47E+02 1.70E+02 4.06E+01 ( 8.36E+00)( 1.39E+00)( 1.69E-01) 2.32E+05 8.36E+04* 2.76E+04* 8.49E+03* 2.48E+03* 6.91E+02* 1.83E+02* 4.48E+01* 9.88E+00* 1.89E+00* 3.00E-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 2.697E+07 3.707E-08 0 1.000 0.000E+00 0.000E+00 1 1.000 2.668E+07 3.747E-08 1 0.998 0.000E+00 0.000E+00 2 1.000 2.625E+07 3.809E-08 2 0.914 0.000E+00 0.000E+00 3 1.000 2.565E+07 3.899E-08 3 0.522 0.000E+00 0.000E+00 4 1.000 2.478E+07 4.036E-08 4 0.408 0.000E+00 0.000E+00 5 0.287 0.000E+00 0.000E+00 6 0.268 0.000E+00 0.000E+00 7 0.242 0.000E+00 0.000E+00 8 0.172 0.000E+00 0.000E+00 9 0.100 0.000E+00 0.000E+00 10 0.050 0.000E+00 0.000E+00 11 0.023 0.000E+00 0.000E+00 12 0.010 0.000E+00 0.000E+00 13 0.004 0.000E+00 0.000E+00 14 0.001 0.000E+00 0.000E+00 15 0.001 0.000E+00 0.000E+00 16 0.000 0.000E+00 0.000E+00 17 0.000 0.000E+00 0.000E+00 18 0.000 0.000E+00 0.000E+00 19 0.000 0.000E+00 0.000E+00 20 0.000 0.000E+00 0.000E+00 21 0.000 0.000E+00 0.000E+00