Supplementary Material (ESI) for PCCP This journal is © the Owner Societies 2009 Nonpolar Nitrous oxide dimer: fundamentals of the mixed 14N2O-15N2O dimer and new combination bands of (14N2O)2 and (15N2O)2 involving the Bu intermolecular bend by M. Dehghany, Mahin Afshari, Z. Abusara, and N. Moazzen-Ahmadi Table S2. Observed and calculated transitions of the combination band of (14N2O)2 involving the Bu intermolecular bend --------------------------------------------------------------------------------------------------------------------- v' J' ka' kc' v" J" Ka kc" obs calc obs-calc 1/weight --------------------------------------------------------------------------------------------------------------------- Excited v=1 3 1 2 - Ground v=0 4 2 3 2263.2312 2263.23051 0.00068 10.0000 Excited v=1 9 1 9 - Ground v=0 10 1 10 2263.2431 2263.24329 -0.00019 5.0000 Excited v=1 8 1 7 - Ground v=0 9 1 8 2263.2807 2263.28074 -0.00004 1.0000 Excited v=1 2 1 2 - Ground v=0 3 2 1 2263.3001 2263.30019 -0.00009 1.0000 Excited v=1 8 2 6 - Ground v=0 9 2 7 2263.3251 2263.32540 -0.00030 1.0000 Excited v=1 2 1 1 - Ground v=0 3 2 2 2263.3321 2263.33215 -0.00005 1.0000 Excited v=1 8 0 8 - Ground v=0 9 0 9 2263.3354 2263.33551 -0.00011 1.0000 Excited v=1 7 0 7 - Ground v=0 8 1 8 2263.3429 2263.34306 -0.00016 1.0000 Excited v=1 8 2 7 - Ground v=0 9 2 8 2263.3603 2263.36039 -0.00009 1.0000 Excited v=1 8 1 8 - Ground v=0 9 1 9 2263.3663 2263.36661 -0.00031 1.0000 Excited v=1 7 1 6 - Ground v=0 8 1 7 2263.4103 2263.41043 -0.00013 1.0000 Excited v=1 1 1 1 - Ground v=0 2 2 0 2263.4259 2263.42610 -0.00020 1.0000 Excited v=1 1 1 0 - Ground v=0 2 2 1 2263.4364 2263.43654 -0.00014 1.0000 Excited v=1 6 0 6 - Ground v=0 7 1 7 2263.4396 2263.43946 0.00013 1.0000 Excited v=1 7 1 7 - Ground v=0 7 2 6 2263.4415 2263.44187 -0.00037 1.0000 Excited v=1 7 0 7 - Ground v=0 8 0 8 2263.4545 2263.45452 -0.00002 1.0000 Excited v=1 8 1 8 - Ground v=0 9 0 9 2263.4576 2263.45781 -0.00021 1.0000 Excited v=1 7 2 5 - Ground v=0 8 2 6 2263.4615 2263.46162 -0.00012 1.0000 Excited v=1 7 1 7 - Ground v=0 8 1 8 2263.4877 2263.48801 -0.00031 5.0000 Excited v=1 6 1 6 - Ground v=0 6 2 5 2263.4950 2263.49510 -0.00010 1.0000 Excited v=1 5 0 5 - Ground v=0 6 1 6 2263.5346 2263.53459 0.00000 1.0000 Excited v=1 6 1 5 - Ground v=0 7 1 6 2263.5388 2263.53881 -0.00001 1.0000 Excited v=1 5 1 5 - Ground v=0 5 2 4 2263.5406 2263.54059 0.00000 10.0000 Excited v=1 6 0 6 - Ground v=0 7 0 7 2263.5727 2263.57272 -0.00002 1.0000 Excited v=1 4 1 4 - Ground v=0 4 2 3 2263.5784 2263.57838 0.00001 1.0000 Excited v=1 6 2 4 - Ground v=0 7 2 5 2263.5944 2263.59446 -0.00006 1.0000 Excited v=1 7 1 7 - Ground v=0 8 0 8 2263.5994 2263.59947 -0.00007 1.0000 Excited v=1 6 1 6 - Ground v=0 7 1 7 2263.6077 2263.60751 0.00018 10.0000 Excited v=1 6 2 5 - Ground v=0 7 2 6 2263.6119 2263.61187 0.00002 1.0000 Excited v=1 4 0 4 - Ground v=0 5 1 5 2263.6295 2263.62951 -0.00001 1.0000 Excited v=1 2 1 1 - Ground v=0 2 2 0 2263.6608 2263.66114 -0.00034 1.0000 Excited v=1 5 1 4 - Ground v=0 6 1 5 2263.6655 2263.66568 -0.00018 1.0000 Excited v=1 3 1 2 - Ground v=0 3 2 1 2263.6680 2263.66775 0.00024 1.0000 Excited v=1 5 1 4 - Ground v=0 5 2 3 2263.6812 2263.68160 -0.00040 5.0000 Excited v=1 6 1 5 - Ground v=0 6 2 4 2263.6861 2263.68596 0.00013 5.0000 Excited v=1 5 0 5 - Ground v=0 6 0 6 2263.6903 2263.69027 0.00002 1.0000 Excited v=1 5 1 5 - Ground v=0 6 1 6 2263.7250 2263.72507 -0.00007 5.0000 Excited v=1 5 2 4 - Ground v=0 6 2 5 2263.7346 2263.73473 -0.00013 1.0000 Excited v=1 6 1 6 - Ground v=0 7 0 7 2263.7407 2263.74077 -0.00007 1.0000 Excited v=1 4 1 3 - Ground v=0 5 1 4 2263.7908 2263.79087 -0.00007 1.0000 Excited v=1 4 0 4 - Ground v=0 5 0 5 2263.8072 2263.80714 0.00005 1.0000 Excited v=1 8 0 8 - Ground v=0 8 1 7 2263.8184 2263.81880 -0.00040 1.0000 Excited v=1 2 0 2 - Ground v=0 3 1 3 2263.8225 2263.82250 -0.00000 1.0000 Excited v=1 4 1 4 - Ground v=0 5 1 5 2263.8407 2263.84066 0.00003 1.0000 Excited v=1 4 2 2 - Ground v=0 5 2 3 2263.8491 2263.84924 -0.00014 1.0000 Excited v=1 4 2 3 - Ground v=0 5 2 4 2263.8555 2263.85558 -0.00008 1.0000 Excited v=1 5 1 5 - Ground v=0 6 0 6 2263.8808 2263.88075 0.00004 1.0000 Excited v=1 7 0 7 - Ground v=0 7 1 6 2263.8943 2263.89413 0.00016 1.0000 Excited v=1 3 1 2 - Ground v=0 4 1 3 2263.9143 2263.91422 0.00007 1.0000 Excited v=1 3 0 3 - Ground v=0 4 0 4 2263.9231 2263.92319 -0.00009 1.0000 Excited v=1 3 1 3 - Ground v=0 4 1 4 2263.9543 2263.95423 0.00006 1.0000 Excited v=1 6 0 6 - Ground v=0 6 1 5 2263.9574 2263.95742 -0.00002 1.0000 Excited v=1 3 2 1 - Ground v=0 4 2 2 2263.9711 2263.97119 -0.00009 1.0000 Excited v=1 3 2 2 - Ground v=0 4 2 3 2263.9742 2263.97436 -0.00016 1.0000 Excited v=1 5 0 5 - Ground v=0 5 1 4 2264.0093 2264.00939 -0.00009 1.0000 Excited v=1 4 1 4 - Ground v=0 5 0 5 2264.0182 2264.01830 -0.00010 1.0000 Excited v=1 0 0 0 - Ground v=0 1 1 1 2264.0241 2264.02404 0.00005 1.0000 Excited v=1 2 1 1 - Ground v=0 3 1 2 2264.0357 2264.03560 0.00009 1.0000 Excited v=1 2 0 2 - Ground v=0 3 0 3 2264.0381 2264.03814 -0.00004 1.0000 Excited v=1 4 0 4 - Ground v=0 4 1 3 2264.0509 2264.05093 -0.00003 1.0000 Excited v=1 2 1 2 - Ground v=0 3 1 3 2264.0656 2264.06571 -0.00011 1.0000 Excited v=1 3 0 3 - Ground v=0 3 1 2 2264.0830 2264.08294 0.00005 1.0000 Excited v=1 2 0 2 - Ground v=0 2 1 1 2264.1061 2264.10619 -0.00009 1.0000 Excited v=1 1 0 1 - Ground v=0 1 1 0 2264.1213 2264.12134 -0.00004 1.0000 Excited v=1 1 0 1 - Ground v=0 2 0 2 2264.1518 2264.15170 0.00009 1.0000 Excited v=1 1 1 0 - Ground v=0 2 1 1 2264.1547 2264.15490 -0.00020 1.0000 Excited v=1 1 1 1 - Ground v=0 2 1 2 2264.1750 2264.17503 -0.00003 1.0000 Excited v=1 5 1 5 - Ground v=0 5 1 4 2264.1998 2264.19988 -0.00008 1.0000 Excited v=1 0 0 0 - Ground v=0 1 0 1 2264.2635 2264.26352 -0.00002 1.0000 Excited v=1 2 1 2 - Ground v=0 3 0 3 2264.2812 2264.28135 -0.00015 1.0000 Excited v=1 3 1 3 - Ground v=0 3 1 2 2264.3117 2264.31196 -0.00026 1.0000 Excited v=1 2 1 2 - Ground v=0 2 1 1 2264.3493 2264.34940 -0.00010 1.0000 Excited v=1 1 1 1 - Ground v=0 1 1 0 2264.3745 2264.37437 0.00012 1.0000 Excited v=1 1 1 0 - Ground v=0 1 1 1 2264.3946 2264.39460 -0.00000 1.0000 Excited v=1 4 2 3 - Ground v=0 4 2 2 2264.3987 2264.39901 -0.00031 1.0000 Excited v=1 5 2 3 - Ground v=0 5 2 4 2264.4020 2264.40216 -0.00016 1.0000 Excited v=1 1 1 1 - Ground v=0 2 0 2 2264.4052 2264.40474 0.00045 1.0000 Excited v=1 3 2 1 - Ground v=0 3 2 2 2264.4147 2264.41465 0.00004 1.0000 Excited v=1 2 2 1 - Ground v=0 2 2 0 2264.4202 2264.41998 0.00021 10.0000 Excited v=1 3 1 2 - Ground v=0 3 1 3 2264.4336 2264.43327 0.00032 1.0000 Excited v=1 3 0 3 - Ground v=0 2 1 2 2264.4579 2264.45740 0.00049 10.0000 Excited v=1 4 3 1 - Ground v=0 4 3 2 2264.4705 2264.47060 -0.00010 1.0000 Excited v=1 1 0 1 - Ground v=0 0 0 0 2264.4802 2264.48066 -0.00046 10.0000 Excited v=1 4 4 1 - Ground v=0 4 4 0 2264.5630 2264.56294 0.00005 1.0000 Excited v=1 4 0 4 - Ground v=0 3 1 3 2264.5699 2264.56999 -0.00009 1.0000 Excited v=1 2 0 2 - Ground v=0 1 0 1 2264.5855 2264.58537 0.00012 1.0000 Excited v=1 2 1 2 - Ground v=0 1 1 1 2264.5891 2264.58910 -0.00000 1.0000 Excited v=1 2 1 1 - Ground v=0 1 1 0 2264.6094 2264.60941 -0.00001 1.0000 Excited v=1 1 1 0 - Ground v=0 1 0 1 2264.6341 2264.63408 0.00001 1.0000 Excited v=1 2 1 1 - Ground v=0 2 0 2 2264.6397 2264.63978 -0.00008 1.0000 Excited v=1 3 1 2 - Ground v=0 3 0 3 2264.6488 2264.64891 -0.00011 1.0000 Excited v=1 4 1 3 - Ground v=0 4 0 4 2264.6621 2264.66217 -0.00007 1.0000 Excited v=1 5 1 4 - Ground v=0 5 0 5 2264.6805 2264.68041 0.00008 5.0000 Excited v=1 5 0 5 - Ground v=0 4 1 4 2264.6825 2264.68271 -0.00021 5.0000 Excited v=1 3 0 3 - Ground v=0 2 0 2 2264.6868 2264.68711 -0.00031 10.0000 Excited v=1 6 1 5 - Ground v=0 6 0 6 2264.7043 2264.70459 -0.00029 1.0000 Excited v=1 3 1 2 - Ground v=0 2 1 1 2264.7170 2264.71696 0.00003 1.0000 Excited v=1 8 1 7 - Ground v=0 8 0 8 2264.7745 2264.77447 0.00002 1.0000 Excited v=1 4 1 4 - Ground v=0 3 1 3 2264.7811 2264.78114 -0.00004 1.0000 Excited v=1 4 0 4 - Ground v=0 3 0 3 2264.7857 2264.78563 0.00006 1.0000 Excited v=1 6 0 6 - Ground v=0 5 1 5 2264.7946 2264.79451 0.00008 1.0000 Excited v=1 4 1 3 - Ground v=0 3 1 2 2264.8219 2264.82192 -0.00002 1.0000 Excited v=1 2 1 2 - Ground v=0 1 0 1 2264.8286 2264.82858 0.00001 1.0000 Excited v=1 4 2 3 - Ground v=0 3 2 2 2264.8425 2264.84247 0.00002 1.0000 Excited v=1 4 2 2 - Ground v=0 3 2 1 2264.8454 2264.84537 0.00002 1.0000 Excited v=1 5 1 5 - Ground v=0 4 1 4 2264.8733 2264.87320 0.00009 1.0000 Excited v=1 5 0 5 - Ground v=0 4 0 4 2264.8809 2264.88069 0.00020 1.0000 Excited v=1 7 0 7 - Ground v=0 6 1 6 2264.9044 2264.90424 0.00015 1.0000 Excited v=1 4 3 1 - Ground v=0 3 3 0 2264.9103 2264.91029 0.00000 5.0000 Excited v=1 3 1 3 - Ground v=0 2 0 2 2264.9163 2264.91613 0.00016 1.0000 Excited v=1 5 1 4 - Ground v=0 4 1 3 2264.9243 2264.92420 0.00009 1.0000 Excited v=1 5 2 4 - Ground v=0 4 2 3 2264.9399 2264.93990 -0.00000 1.0000 Excited v=1 5 2 3 - Ground v=0 4 2 2 2264.9457 2264.94559 0.00010 1.0000 Excited v=1 6 1 6 - Ground v=0 5 1 5 2264.9625 2264.96256 -0.00006 1.0000 Excited v=1 6 0 6 - Ground v=0 5 0 5 2264.9723 2264.97215 0.00014 1.0000 Excited v=1 4 1 4 - Ground v=0 3 0 3 2264.9968 2264.99678 0.00001 1.0000 Excited v=1 5 3 3 - Ground v=0 4 3 2 2265.0085 2265.00848 0.00001 5.0000 Excited v=1 6 1 5 - Ground v=0 5 1 4 2265.0238 2265.02372 0.00007 1.0000 Excited v=1 6 2 4 - Ground v=0 6 1 5 2265.0285 2265.02849 0.00000 1.0000 Excited v=1 6 2 5 - Ground v=0 5 2 4 2265.0348 2265.03472 0.00007 1.0000 Excited v=1 6 2 4 - Ground v=0 5 2 3 2265.0445 2265.04441 0.00008 1.0000 Excited v=1 7 1 7 - Ground v=0 6 1 6 2265.0493 2265.04920 0.00009 1.0000 Excited v=1 7 0 7 - Ground v=0 6 0 6 2265.0605 2265.05992 0.00057 5.0000 Excited v=1 5 1 5 - Ground v=0 4 0 4 2265.0716 2265.07118 0.00041 1.0000 Excited v=1 4 2 2 - Ground v=0 4 1 3 2265.0922 2265.09184 0.00035 1.0000 Excited v=1 6 3 3 - Ground v=0 5 3 2 2265.1050 2265.10472 0.00027 5.0000 Excited v=1 3 2 1 - Ground v=0 3 1 2 2265.1185 2265.11810 0.00039 10.0000 Excited v=1 7 1 6 - Ground v=0 6 1 5 2265.1206 2265.12038 0.00021 1.0000 Excited v=1 7 2 6 - Ground v=0 6 2 5 2265.1272 2265.12688 0.00031 1.0000 Excited v=1 8 1 8 - Ground v=0 7 1 7 2265.1332 2265.13310 0.00009 1.0000 Excited v=1 8 0 8 - Ground v=0 7 0 7 2265.1441 2265.14405 0.00004 1.0000 Excited v=1 3 2 2 - Ground v=0 3 1 3 2265.1775 2265.17712 0.00037 1.0000 Excited v=1 4 2 3 - Ground v=0 4 1 4 2265.1885 2265.18819 0.00030 1.0000 Excited v=1 5 2 4 - Ground v=0 5 1 5 2265.2029 2265.20219 0.00070 5.0000 Excited v=1 7 1 7 - Ground v=0 6 0 6 2265.2052 2265.20488 0.00031 1.0000 Excited v=1 9 1 9 - Ground v=0 8 1 8 2265.2145 2265.21428 0.00021 1.0000 Excited v=1 8 1 7 - Ground v=0 7 1 6 2265.2145 2265.21409 0.00040 1.0000 Excited v=1 6 2 5 - Ground v=0 6 1 6 2265.2193 2265.21920 0.00009 1.0000 Excited v=1 9 0 9 - Ground v=0 8 0 8 2265.2248 2265.22471 0.00008 1.0000 Excited v=1 8 2 6 - Ground v=0 7 2 5 2265.2383 2265.23787 0.00042 5.0000 Excited v=1 8 2 7 - Ground v=0 8 1 8 2265.2628 2265.26250 0.00029 1.0000 Excited v=1 8 1 8 - Ground v=0 7 0 7 2265.2665 2265.26636 0.00013 1.0000 Excited v=1 9 1 9 - Ground v=0 8 0 8 2265.3258 2265.32574 0.00005 1.0000 Excited v=1 9 2 7 - Ground v=0 8 2 6 2265.3322 2265.33223 -0.00003 1.0000 Excited v=1 2 2 1 - Ground v=0 1 1 0 2265.3686 2265.36826 0.00033 1.0000 Excited v=1 11 1 11 - Ground v=0 10 1 10 2265.3686 2265.36852 0.00007 1.0000 Excited v=1 11 0 11 - Ground v=0 10 0 10 2265.3764 2265.37653 -0.00013 1.0000 Excited v=1 2 2 0 - Ground v=0 1 1 1 2265.3789 2265.37864 0.00025 1.0000 Excited v=1 10 2 9 - Ground v=0 9 2 8 2265.3872 2265.38712 0.00007 1.0000 Excited v=1 10 1 9 - Ground v=0 9 1 8 2265.3921 2265.39217 -0.00007 1.0000 Excited v=1 3 2 2 - Ground v=0 2 1 1 2265.4608 2265.46081 -0.00001 1.0000 Excited v=1 3 2 1 - Ground v=0 2 1 2 2265.4924 2265.49257 -0.00017 1.0000 Excited v=1 4 2 3 - Ground v=0 3 1 2 2265.5462 2265.54591 0.00028 1.0000 Excited v=1 4 2 2 - Ground v=0 3 1 3 2265.6107 2265.61089 -0.00019 1.0000 Excited v=1 5 2 4 - Ground v=0 4 1 3 2265.6232 2265.62361 -0.00041 1.0000 Excited v=1 6 3 3 - Ground v=0 6 2 4 2265.6514 2265.65147 -0.00007 1.0000 Excited v=1 7 3 5 - Ground v=0 7 2 6 2265.6605 2265.66042 0.00007 1.0000 Excited v=1 5 3 2 - Ground v=0 5 2 3 2265.6730 2265.67304 -0.00004 5.0000 Excited v=1 5 3 3 - Ground v=0 5 2 4 2265.6836 2265.68369 -0.00009 1.0000 Excited v=1 4 3 2 - Ground v=0 4 2 3 2265.6938 2265.69385 -0.00005 1.0000 Excited v=1 6 2 5 - Ground v=0 5 1 4 2265.6938 2265.69400 -0.00020 1.0000 Excited v=1 5 2 3 - Ground v=0 4 1 4 2265.7348 2265.73477 0.00002 1.0000