Date: 5/ 11/ 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+ (B 2SU+ --> X 1SG+ ) IONIZATION SYSTEM SPECTROSCOPIC CONSTANTS: UPPER STATE: B 2SU+ EQ. ENERGY: Te = 150029.1 CM-1 VIB ENERGY: GV = ( 2.42083E+03)(V+.5) -( 2.3851E+01)(V+.5)**2 +( -3.587E-01)(V+.5)**3+( -6.19E-02)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Lah&Gil 91 ROT CONST : BV = ( 2.08450)-( 0.021320)(V+.5)+(-8.50E-04)(V+.5)**2 +( 0.00E+00)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Lah&Gil 91 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.074736 Angstroms DISSOCIATION ENERGY: De = 45912. CM-1 LOWER STATE: X 1SG+ EQ. ENERGY: Te = -1175.7 CM-1 VIB ENERGY: GV = ( 2.35857E+03)(V+.5) -( 1.4324E+01)(V+.5)**2 +( -2.260E-03)(V+.5)**3+( -2.40E-04)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Lah&Gil 91 ROT CONST : BV = ( 1.99824)-( 0.017318)(V+.5)+(-3.30E-05)(V+.5)**2 +( 0.00E+00)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Lah&Gil 91 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.097688 Angstroms DISSOCIATION ENERGY: De = 79890. 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: Arbitrarily set to unity RE = 1.000E+00 EXP(- 0.000(R - 0.00)**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 0.0661 0.0672 0.0682 0.0693 0.0704 0.0715 0.0726 0.0738 0.0750 0.0762 0.0774 151232.2 148902.2 146601.0 144328.5 142084.7 139869.7 137683.5 135526.2 133397.9 131298.5 129228.5 8.83E-01 1.04E-01 1.18E-02 1.21E-03 1.27E-04 1.35E-05 1.48E-06 1.64E-07 1.99E-08 3.43E-09 1.25E-09 1.0903 0.9998 0.9482 0.8958 0.8543 0.8160 0.7804 0.7429 0.7121 0.7277 0.8121 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 6.19E+09 6.92E+08 7.52E+07 7.39E+06 7.38E+05 7.50E+04 7.82E+03 8.29E+02 9.55E+01 1.57E+01 5.47E+00 6.19E+09 6.92E+08 7.52E+07 7.39E+06* 7.38E+05* 7.50E+04* 7.82E+03* 8.29E+02* 9.55E+01* 1.57E+01* 5.47E+00* 1 0.0651 0.0661 0.0671 0.0682 0.0692 0.0703 0.0714 0.0725 0.0737 0.0748 0.0760 153603.7 151273.8 148972.5 146700.0 144456.2 142241.2 140055.0 137897.7 135769.4 133670.0 131600.0 1.14E-01 6.91E-01 1.61E-01 2.86E-02 3.93E-03 5.17E-04 6.63E-05 8.64E-06 1.18E-06 1.89E-07 4.56E-08 1.1825 1.0996 1.0001 0.9524 0.8981 0.8573 0.8184 0.7853 0.7564 0.7452 0.7758 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 8.40E+08 4.85E+09 1.08E+09 1.83E+08 2.40E+07 3.01E+06 3.69E+05 4.59E+04 5.98E+03 9.17E+02 2.11E+02 8.40E+08 4.85E+09 1.08E+09 1.83E+08 2.40E+07* 3.01E+06* 3.69E+05* 4.59E+04* 5.98E+03* 9.17E+02* 2.11E+02* 2 0.0641 0.0651 0.0661 0.0671 0.0681 0.0692 0.0702 0.0713 0.0724 0.0735 0.0747 155921.9 153592.0 151290.7 149018.2 146774.4 144559.4 142373.2 140216.0 138087.6 135988.2 133918.2 2.31E-03 2.00E-01 5.57E-01 1.86E-01 4.59E-02 7.81E-03 1.25E-03 1.88E-04 2.91E-05 4.86E-06 1.01E-06 1.3703 1.1916 1.1105 0.9979 0.9567 0.8994 0.8606 0.8215 0.7921 0.7715 0.7740 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.77E+07 1.47E+09 3.91E+09 1.24E+09 2.94E+08 4.78E+07 7.31E+06 1.05E+06 1.55E+05 2.48E+04 4.93E+03 1.77E+07* 1.47E+09 3.91E+09 1.24E+09 2.94E+08 4.78E+07* 7.31E+06* 1.05E+06* 1.55E+05* 2.48E+04* 4.93E+03* 3 0.0632 0.0642 0.0651 0.0661 0.0671 0.0681 0.0691 0.0702 0.0713 0.0723 0.0734 158181.5 155851.6 153550.4 151277.9 149034.1 146819.1 144632.9 142475.6 140347.2 138247.9 136177.8 1.41E-05 4.85E-03 2.64E-01 4.69E-01 1.87E-01 6.12E-02 1.22E-02 2.33E-03 4.08E-04 7.46E-05 1.52E-05 0.7202 1.4094 1.2016 1.1233 0.9921 0.9619 0.8993 0.8647 0.8249 0.8009 0.7874 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.13E+05 3.72E+07 1.93E+09 3.29E+09 1.25E+09 3.92E+08 7.51E+07 1.37E+07 2.28E+06 3.99E+05 7.77E+04 1.13E+05* 3.72E+07* 1.93E+09 3.29E+09 1.25E+09 3.92E+08 7.51E+07 1.37E+07* 2.28E+06* 3.99E+05* 7.77E+04* 4 0.0624 0.0633 0.0642 0.0652 0.0661 0.0671 0.0681 0.0691 0.0702 0.0712 0.0723 160375.9 158046.0 155744.8 153472.2 151228.5 149013.5 146827.3 144670.0 142541.6 140442.3 138372.2 4.32E-06 1.32E-04 6.01E-03 3.09E-01 4.19E-01 1.71E-01 7.37E-02 1.65E-02 3.74E-03 7.46E-04 1.62E-04 1.3079 0.9388 1.4704 1.2126 1.1382 0.9801 0.9690 0.8966 0.8702 0.8284 0.8114 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 3.61E+04 1.05E+06 4.60E+07 2.26E+09 2.93E+09 1.15E+09 4.73E+08 1.01E+08 2.19E+07 4.19E+06 8.71E+05 3.61E+04* 1.05E+06* 4.60E+07* 2.26E+09 2.93E+09 1.15E+09 4.73E+08 1.01E+08 2.19E+07* 4.19E+06* 8.71E+05* 5 0.0615 0.0624 0.0633 0.0643 0.0652 0.0662 0.0671 0.0681 0.0691 0.0701 0.0712 162497.0 160167.0 157865.8 155593.3 153349.5 151134.5 148948.3 146791.0 144662.6 142563.3 140493.2 8.23E-10 1.97E-05 5.92E-04 4.91E-03 3.39E-01 4.00E-01 1.45E-01 8.41E-02 2.00E-02 5.44E-03 1.22E-03 -2.2725 1.3705 1.0556 1.5858 1.2248 1.1549 0.9576 0.9797 0.8894 0.8786 0.8306 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 7.15E+00 1.64E+05 4.72E+06 3.75E+07 2.47E+09 2.80E+09 9.68E+08 5.39E+08 1.22E+08 3.19E+07 6.83E+06 7.15E+00* 1.64E+05* 4.72E+06* 3.75E+07* 2.47E+09 2.80E+09 9.68E+08 5.39E+08 1.22E+08 3.19E+07* 6.83E+06* 6 0.0608 0.0617 0.0625 0.0634 0.0644 0.0653 0.0662 0.0672 0.0682 0.0692 0.0702 164535.2 162205.3 159904.1 157631.6 155387.8 153172.8 150986.6 148829.3 146700.9 144601.6 142531.5 1.27E-08 2.28E-07 4.48E-05 1.81E-03 1.99E-03 3.51E-01 4.09E-01 1.10E-01 9.41E-02 2.18E-02 7.48E-03 1.2855 0.7431 1.4594 1.1338 1.9245 1.2383 1.1726 0.9151 0.9966 0.8731 0.8924 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.15E+02 1.97E+03 3.72E+05 1.44E+07 1.51E+07 2.56E+09 2.85E+09 7.36E+08 6.02E+08 1.34E+08 4.39E+07 1.15E+02* 1.97E+03* 3.72E+05* 1.44E+07* 1.51E+07* 2.56E+09 2.85E+09 7.36E+08 6.02E+08 1.34E+08 4.39E+07* 7 0.0601 0.0609 0.0618 0.0627 0.0636 0.0645 0.0654 0.0663 0.0673 0.0682 0.0692 166480.3 164150.4 161849.1 159576.6 157332.8 155117.8 152931.7 150774.4 148646.0 146546.7 144476.6 1.25E-11 8.34E-08 3.13E-06 5.44E-05 4.25E-03 5.49E-06 3.41E-01 4.41E-01 7.14E-02 1.07E-01 2.12E-02 -0.5816 1.4035 1.0343 1.6333 1.1954 -14.1360 1.2533 1.1902 0.8295 1.0228 0.8379 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.16E-01 7.48E+02 2.69E+04 4.47E+05 3.35E+07 4.15E+04 2.47E+09 3.06E+09 4.75E+08 6.79E+08 1.30E+08 1.16E-01* 7.48E+02* 2.69E+04* 4.47E+05* 3.35E+07* 4.15E+04* 2.47E+09 3.06E+09 4.75E+08 6.79E+08 1.30E+08 V'V" 0 1 2 3 4 5 6 7 8 9 10 8 0.0594 0.0602 0.0611 0.0620 0.0628 0.0637 0.0646 0.0655 0.0665 0.0674 0.0683 168320.7 165990.8 163689.5 161417.0 159173.2 156958.2 154772.1 152614.8 150486.4 148387.0 146317.0 1.59E-10 1.80E-09 1.99E-07 1.92E-05 1.59E-05 7.92E-03 5.47E-03 3.01E-01 4.88E-01 3.43E-02 1.26E-01 1.2237 0.9249 1.6201 1.1648 2.4425 1.2520 0.7031 1.2705 1.2067 0.6256 1.0607 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.53E+00 1.66E+01 1.76E+03 1.63E+05 1.30E+05 6.21E+07 4.11E+07 2.17E+09 3.37E+09 2.27E+08 7.97E+08 1.53E+00* 1.66E+01* 1.76E+03* 1.63E+05* 1.30E+05* 6.21E+07* 4.11E+07* 2.17E+09 3.37E+09 2.27E+08 7.97E+08 9 0.0588 0.0596 0.0605 0.0613 0.0622 0.0630 0.0639 0.0648 0.0657 0.0666 0.0675 170044.7 167714.8 165413.5 163141.0 160897.2 158682.2 156496.0 154338.7 152210.4 150111.0 148041.0 4.98E-11 1.47E-09 3.08E-08 5.59E-08 7.07E-05 4.91E-05 1.14E-02 2.93E-02 2.23E-01 5.32E-01 7.61E-03 0.9610 1.2779 1.2133 2.9884 1.2583 0.2799 1.3148 1.0061 1.2914 1.2205 -0.1371 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 4.96E-01 1.40E+01 2.83E+02 4.91E+02 5.96E+05 3.97E+05 8.88E+07 2.18E+08 1.60E+09 3.64E+09 5.00E+07 4.96E-01* 1.40E+01* 2.83E+02* 4.91E+02* 5.96E+05* 3.97E+05* 8.88E+07 2.18E+08 1.60E+09 3.64E+09 5.00E+07* 10 0.0583 0.0591 0.0599 0.0607 0.0615 0.0624 0.0633 0.0641 0.0650 0.0659 0.0668 171642.5 169312.6 167011.4 164738.8 162495.0 160280.0 158093.9 155936.6 153808.2 151708.9 149638.8 1.50E-11 7.92E-10 4.18E-09 2.10E-07 1.24E-06 1.62E-04 8.63E-04 1.12E-02 8.25E-02 1.17E-01 5.36E-01 0.8468 1.0269 1.3562 1.3898 0.5639 1.3565 0.9799 1.4084 1.1171 1.3221 1.2293 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.00E+00 1.53E-01 7.79E+00 3.94E+01 1.90E+03 1.08E+04 1.35E+06 6.91E+06 8.62E+07 6.08E+08 8.25E+08 3.64E+09 1.53E-01* 7.79E+00* 3.94E+01* 1.90E+03* 1.08E+04* 1.35E+06* 6.91E+06* 8.62E+07 6.08E+08 8.25E+08 3.64E+09 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 6.966E+09 1.436E-10 0 1.000 0.000E+00 0.000E+00 1 1.000 6.978E+09 1.433E-10 1 1.000 0.000E+00 0.000E+00 2 1.000 6.988E+09 1.431E-10 2 1.000 0.000E+00 0.000E+00 3 1.000 6.993E+09 1.430E-10 3 1.000 0.000E+00 0.000E+00 4 1.000 6.993E+09 1.430E-10 4 1.000 0.000E+00 0.000E+00 5 0.999 6.982E+09 1.432E-10 5 1.000 0.000E+00 0.000E+00 6 0.997 6.951E+09 1.439E-10 6 1.000 0.000E+00 0.000E+00 7 0.986 6.852E+09 1.459E-10 7 0.995 0.000E+00 0.000E+00 8 0.962 6.664E+09 1.501E-10 8 0.984 0.000E+00 0.000E+00 9 0.803 5.597E+09 1.787E-10 9 0.817 0.000E+00 0.000E+00 10 0.748 5.168E+09 1.935E-10* 10 0.700 0.000E+00 0.000E+00