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 (E 3SG+ --> A 3SU+ ) HER-KAP (N=0) SYSTEM SPECTROSCOPIC CONSTANTS: UPPER STATE: E 3SG+ EQ. ENERGY: Te = 94669.6 CM-1 VIB ENERGY: GV = ( 2.21800E+03)(V+.5) -( 1.6300E+01)(V+.5)**2 +( -2.700E-02)(V+.5)**3+( -2.60E-03)(V+.5)**4 +( 0.00E+00)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Lah&Gil 91 ROT CONST : BV = ( 1.93680)-( 0.019000)(V+.5)+(-1.90E-04)(V+.5)**2 +( 0.00E+00)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Lah&Gil 91 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.114963 Angstroms DISSOCIATION ENERGY: De = 67384. CM-1 LOWER STATE: A 3SU+ EQ. ENERGY: Te = 49028.0 CM-1 VIB ENERGY: GV = ( 1.46048E+03)(V+.5) -( 1.3775E+01)(V+.5)**2 +( -1.175E-02)(V+.5)**3+( 1.41E-04)(V+.5)**4 +( -7.29E-05)(V+.5)**5+( 0.00E+00)(V+.5)**6 REF: Lah&Gil 91 ROT CONST : BV = ( 1.45499)-( 0.018385)(V+.5)+( 1.24E-05)(V+.5)**2 +(-6.70E-06)(V+.5)**3+( 0.00E+00)(V+.5)**4 REF: Lah&Gil 91 EQUILIBRIUM INTERNUCLEAR DISTANCE: re = 1.286390 Angstroms DISSOCIATION ENERGY: De = 29686. 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 = 1.730E-02 EXP(-106.000(R - 1.25)**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 0.2173 0.2243 0.2316 0.2392 0.2472 0.2555 0.2643 0.2734 0.2830 0.2930 0.3035 46019.6 44586.8 43181.6 41804.1 40454.4 39132.7 37839.2 36574.0 35337.4 34129.8 32951.8 4.00E-03 1.72E-02 4.03E-02 6.78E-02 9.24E-02 1.08E-01 1.13E-01 1.08E-01 9.71E-02 8.24E-02 6.69E-02 1.1970 1.1846 1.1727 1.1615 1.1508 1.1406 1.1309 1.1216 1.1127 1.1042 1.0961 1.28E-02 1.10E-02 9.18E-03 7.54E-03 6.10E-03 4.86E-03 3.85E-03 3.01E-03 2.35E-03 1.82E-03 1.41E-03 ( 1.30E+02) 3.74E+02 5.54E+02 ( 5.71E+02)( 4.60E+02)( 3.11E+02)( 1.84E+02) 9.76E+01 ( 4.78E+01)( 2.19E+01)( 9.58E+00) 1.15E+02* 3.61E+02 5.80E+02 6.35E+02 5.31E+02 3.60E+02 2.06E+02 1.01E+02 4.29E+01 1.59E+01 5.12E+00 1 0.2074 0.2138 0.2204 0.2273 0.2345 0.2420 0.2498 0.2580 0.2665 0.2754 0.2846 48204.9 46772.1 45366.9 43989.4 42639.7 41318.0 40024.5 38759.2 37522.6 36315.1 35137.1 2.71E-02 7.88E-02 1.18E-01 1.19E-01 8.54E-02 4.25E-02 1.13E-02 7.94E-05 5.72E-03 2.01E-02 3.56E-02 1.2161 1.2028 1.1902 1.1782 1.1666 1.1552 1.1430 1.0886 1.1337 1.1221 1.1129 1.53E-02 1.37E-02 1.18E-02 1.00E-02 8.28E-03 6.67E-03 5.14E-03 1.09E-03 4.12E-03 3.05E-03 2.36E-03 ( 1.44E+03) 3.05E+03 3.14E+03 2.05E+03 9.19E+02 2.71E+02 ( 3.88E+01)( 1.12E-02)( 1.04E+01)( 1.82E+01)( 1.74E+01) 1.21E+03 2.79E+03 3.10E+03 2.14E+03 9.58E+02 2.49E+02 1.71E+01 8.83E+00* 3.83E+01* 4.56E+01 3.46E+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 0.798 2.953E+03 3.386E-04* 0 0.031 0.000E+00 0.000E+00 1 0.544 1.058E+04 9.452E-05* 1 0.096 0.000E+00 0.000E+00 2 0.159 0.000E+00 0.000E+00 3 0.187 0.000E+00 0.000E+00 4 0.178 0.000E+00 0.000E+00 5 0.151 0.000E+00 0.000E+00 6 0.124 0.000E+00 0.000E+00 7 0.109 0.000E+00 0.000E+00 8 0.103 0.000E+00 0.000E+00 9 0.103 0.000E+00 0.000E+00 10 0.103 0.000E+00 0.000E+00