========================================================================= Supplementary data associated with the paper "A Full Analytic Potential Energy Curve for the $a\,^3\Sigma^+$ State of KLi from a limited vibrational data set" by H. Salami, A.J. Ross, P. Crozet, W. Jastrzebski, P. Kowalczyk and R.J. Le Roy, Journal of Chemical Physics (accepted, April 2007) Experimental Data for a-state KLi in the 'band-type' input format for program DPotFit, consistent with an analysis which treats the c3 and B1 state term values as independent fitting parameters. While parity splittings are not resolved, the labelling (p' & p") is retained as it is required by the code. For each band, the fist line gives: v' v'' ES' ES" mass_N0.-1 mass_no.-2 and the entry for for each datum is: J' p' J" p" wavenumber uncertainty [cm-1] While parity splittings are not resolved here, the labelling (p' & p") is retained as it is required by program DPotFit. ========================================================================= 54 5 'c3' 'a3' 39 6 % K6Li c3sigma+/a3sigma+ collisionally induced 17 1 16 1 12525.0180 0.0050 % bands from v'10 J'17e B1pi 17 1 18 1 12518.7910 0.0050 % v'=54 assign in c3sigma just a guess. -1 -1 -1 -1 0.0000 0.0000 % parity labels are arbitrary. 54 6 'c3' 'a3' 39 6 % K6Li c3sigma+/a3sigma+ collisionally induced 14 1 13 1 12500.5870 0.0050 % bands from v'10 J'17e B1pi 15 1 14 1 12501.4960 0.0050 16 1 15 1 12502.4760 0.0050 17 1 16 1 12503.5110 0.0050 18 1 17 1 12504.6150 0.0050 19 1 18 1 12505.7790 0.0050 20 1 19 1 12507.0280 0.0050 21 1 20 1 12508.3360 0.0050 14 1 15 1 12495.8420 0.0050 15 1 16 1 12496.4650 0.0050 16 1 17 1 12497.1520 0.0050 17 1 18 1 12497.9080 0.0050 18 1 19 1 12498.7350 0.0050 19 1 20 1 12499.6390 0.0050 20 1 21 1 12500.6250 0.0050 -1 -1 -1 -1 0.0000 0.0000 54 7 'c3' 'a3' 39 6 % K6Li c3sigma+/a3sigma+ collisionally induced 15 1 14 1 12483.5050 0.0050 % bands from v'10 J'17e B1pi 16 1 15 1 12484.7660 0.0050 17 1 16 1 12486.1020 0.0050 18 1 17 1 12487.5360 0.0050 19 1 18 1 12489.0550 0.0050 20 1 19 1 12490.6770 0.0050 13 1 14 1 12477.2850 0.0050 14 1 15 1 12478.1340 0.0050 15 1 16 1 12479.0590 0.0050 16 1 17 1 12480.0760 0.0050 17 1 18 1 12481.1850 0.0050 18 1 19 1 12482.3990 0.0050 -1 -1 -1 -1 0.0000 0.0000 54 8 'c3' 'a3' 39 6 % K6Li c3sigma+/a3sigma+ collisionally induced 15 1 16 1 12465.8220 0.0050 % bands from v'10 J'17e B1pi 16 1 17 1 12467.2090 0.0050 17 1 18 1 12468.7210 0.0050 18 1 19 1 12470.3870 0.0050 19 1 20 1 12472.1740 0.0050 17 1 16 1 12472.8690 0.0050 18 1 17 1 12474.6660 0.0050 19 1 18 1 12476.5980 0.0050 -1 -1 -1 -1 0.0000 0.0000 20 7 'B1' 'a3' 39 6 % K6Li Lyon 2006 B~b fluo into a3sig, 5 1 4 1 12929.5340 0.0050 % v' indicated for B1pi. 5 1 6 1 12927.8620 0.0050 % Several fluorescence series, with 8 1 7 1 12930.8110 0.0050 % either R,P doublets from +1 parity in 8 1 9 1 12928.2610 0.0050 % upper state, or O Q S triplets from 6 1 5 1 12929.9140 0.0050 % levels with -1 parity in upper state 6 1 7 1 12927.9520 0.0050 9 1 8 1 12931.3080 0.0050 % Lower state rotational quantum No. is 9 1 10 1 12928.4690 0.0050 % N, not J. Parity" is f for lines with 7 1 6 1 12930.3550 0.0050 % deltaN = +2, -2, but otherwise, lower 7 1 8 1 12928.0940 0.0050 % state parity not resolved, labels are 9 1 8 1 12931.3120 0.0050 % given for deltaN = deltaJ component. 9 1 10 1 12928.4750 0.0050 12 1 11 1 12933.1290 0.0050 12 1 13 1 12929.4560 0.0050 10 1 9 1 12931.8500 0.0050 10 1 11 1 12928.7300 0.0050 11 1 10 1 12932.3740 0.0050 11 1 12 1 12928.9730 0.0050 11 -1 9 -1 12933.9670 0.0050 11 -1 11 1 12930.8420 0.0050 11 -1 13 -1 12927.1690 0.0050 7 -1 5 -1 12931.2620 0.0050 7 -1 7 1 12929.2970 0.0050 7 -1 9 -1 12926.7470 0.0050 8 -1 6 -1 12931.8800 0.0050 8 -1 8 1 12929.6210 0.0050 8 -1 10 -1 12926.7800 0.0050 -1 -1 -1 -1 0.0000 0.0000 20 8 'B1' 'a3' 39 6 % K6Li Lyon 2006 B~b fluo into a3sig 5 1 4 1 12913.7410 0.0050 5 1 6 1 12912.2840 0.0050 8 1 7 1 12915.3650 0.0050 8 1 9 1 12913.1460 0.0050 6 1 5 1 12914.2220 0.0050 6 1 7 1 12912.5060 0.0050 9 1 8 1 12916.0160 0.0050 9 1 10 1 12913.5510 0.0050 7 1 6 1 12914.7740 0.0050 7 1 8 1 12912.8000 0.0050 9 1 8 1 12916.0250 0.0050 9 1 10 1 12913.5600 0.0050 10 1 9 1 12916.7340 0.0050 10 1 11 1 12914.0310 0.0050 11 1 10 1 12917.4560 0.0050 11 1 12 1 12914.5190 0.0050 11 -1 9 -1 12918.8480 0.0050 11 -1 11 1 12916.1460 0.0050 11 -1 13 -1 12912.9810 0.0050 12 1 11 1 12918.4280 0.0050 12 1 13 1 12915.2620 0.0050 7 -1 5 -1 12915.5680 0.0050 7 -1 7 1 12913.8540 0.0050 7 -1 9 -1 12911.6340 0.0050 8 -1 6 -1 12916.2980 0.0050 8 -1 8 1 12914.3330 0.0050 8 -1 10 -1 12911.8650 0.0050 -1 -1 -1 -1 0.0000 0.0000 20 9 'B1' 'a3' 39 6 % K6Li Lyon 2006 B~b fluo into a3sig 8 1 9 1 12901.9920 0.0050 9 1 8 1 12904.6500 0.0050 9 1 10 1 12902.6190 0.0050 9 1 10 1 12902.6360 0.0050 10 1 9 1 12905.5830 0.0050 10 1 11 1 12903.3470 0.0050 11 1 10 1 12906.5240 0.0050 11 1 12 1 12904.1090 0.0050 11 -1 11 1 12905.4550 0.0050 11 -1 13 -1 12902.8750 0.0050 12 1 13 1 12905.1640 0.0050 12 1 11 1 12907.7450 0.0050 7 -1 7 1 12902.3220 0.0050 -1 -1 -1 -1 0.0000 0.0000 20 10 'B1' 'a3' 39 6 % K6Li Lyon 2006 B~b fluo into a3sig 11 1 10 1 12899.4690 0.0050 11 1 12 1 12897.6700 0.0050 11 -1 11 1 12898.6910 0.0050 -1 -1 -1 -1 0.0000 0.0000 19 6 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=19,J=30 e)~b levels 30 1 31 1 12929.6920 0.0050 30 1 29 1 12937.7300 0.0050 30 -1 30 1 12933.6790 0.0050 30 -1 28 -1 12941.6740 0.0050 30 -1 32 -1 12925.6490 0.0050 -1 -1 -1 -1 0.0000 0.0000 18 6 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=18)~b levels 29 -1 29 1 12901.8000 0.0050 29 -1 31 -1 12893.7590 0.0050 -1 -1 -1 -1 0.0000 0.0000 18 5 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=18)~b levels 29 -1 29 1 12917.4070 0.0050 -1 -1 -1 -1 0.0000 0.0000 17 5 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=17)~b levels 24 1 23 1 12881.4690 0.0050 24 1 25 1 12873.2110 0.0050 33 -1 33 1 12890.5820 0.0050 22 -1 22 1 12875.2620 0.0050 -1 -1 -1 -1 0.0000 0.0000 17 6 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=17)~b levels 22 -1 22 1 12855.8830 0.0050 22 -1 20 -1 12862.5180 0.0050 -1 -1 -1 -1 0.0000 0.0000 17 7 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=17)~b levels 22 -1 22 1 12840.8640 0.0050 -1 -1 -1 -1 0.0000 0.0000 17 8 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=17)~b levels 22 -1 22 1 12830.4430 0.0050 -1 -1 -1 -1 0.0000 0.0000 22 7 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=22)~b levels 23 -1 23 1 12966.5550 0.0050 23 -1 21 -1 12972.4470 0.0050 23 -1 25 -1 12960.4080 0.0050 -1 -1 -1 -1 0.0000 0.0000 22 8 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=22)~b levels 23 -1 25 -1 12952.2300 0.0500 23 -1 23 1 12956.7870 0.0050 23 -1 21 -1 12961.4490 0.0050 -1 -1 -1 -1 0.0000 0.0000 16 6 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=16)~b levels 12 -1 12 1 12804.8000 0.0050 12 -1 10 -1 12808.6170 0.0050 12 -1 14 -1 12800.3640 0.0050 -1 -1 -1 -1 0.0000 0.0000 16 5 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=16)~b levels 12 -1 12 1 12827.2840 0.0050 12 -1 10 -1 12831.4900 0.0050 12 -1 14 -1 12822.3950 0.0050 -1 -1 -1 -1 0.0000 0.0000 16 7 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=16)~b levels 12 -1 12 1 12786.3050 0.0050 12 -1 10 -1 12789.7070 0.0050 12 -1 14 -1 12782.3720 0.0050 -1 -1 -1 -1 0.0000 0.0000 16 8 'B1' 'a3' 39 6 % Direct fluorescence into a3sig from B(v=16)~b levels 12 -1 12 1 12771.8540 0.0050 12 -1 10 -1 12774.8010 0.0050 12 -1 14 -1 12768.4740 0.0050 -1 -1 -1 -1 0.0000 0.0000 10 5 'B1' 'a3' 39 6 % These appear as 'extra' lines in collisional 17 1 16 1 12525.1060 0.0050 % transfer bands assigned c3sig/a3sig 17 1 18 1 12518.8760 0.0050 % Upper state (dominantly) B1pi v=10, J=17e -1 -1 -1 -1 0.0000 0.0000 10 6 'B1' 'a3' 39 6 % 'Extra' lines in sig/a3sig bands 17 1 16 1 12503.5940 0.0050 17 1 18 1 12497.9890 0.0050 -1 -1 -1 -1 0.0000 0.0000 10 7 'B1' 'a3' 39 6 % 'Extra' lines in sig/a3sig bands 17 1 16 1 12486.1890 0.0050 17 1 18 1 12481.2670 0.0050 -1 -1 -1 -1 0.0000 0.0000 10 8 'B1' 'a3' 39 6 % 'Extra' lines in sig/a3sig bands 17 1 16 1 12472.9530 0.0050 17 1 18 1 12468.8120 0.0050 -1 -1 -1 -1 0.0000 0.0000 ========================================================================= END OF FILE =========================================================================