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 S3. Observed and calculated transitions of the combination band of (15N2O)2 involving the Bu intermolecular bend --------------------------------------------------------------------------------------------------------------------- v' J' ka' kc' v" J" Ka kc" obs calc obs-calc 1/weight --------------------------------------------------------------------------------------------------------------------- Excited v=1 8 1 7 - Ground v=0 9 1 8 2193.5789 2193.57912 -0.00022 1.0000 Excited v=1 2 1 1 - Ground v=0 3 2 2 2193.5917 2193.59250 -0.00080 1.0000 Excited v=1 7 0 7 - Ground v=0 8 1 8 2193.6204 2193.62189 -0.00149 10.0000 Excited v=1 8 0 8 - Ground v=0 9 0 9 2193.6260 2193.62680 -0.00080 10.0000 Excited v=1 8 2 7 - Ground v=0 9 2 8 2193.6549 2193.65484 0.00005 1.0000 Excited v=1 8 1 8 - Ground v=0 9 1 9 2193.6571 2193.65755 -0.00045 1.0000 Excited v=1 1 1 1 - Ground v=0 2 2 0 2193.6814 2193.68196 -0.00056 1.0000 Excited v=1 7 1 6 - Ground v=0 8 1 7 2193.7016 2193.70173 -0.00013 1.0000 Excited v=1 7 0 7 - Ground v=0 8 0 8 2193.7398 2193.73986 -0.00006 1.0000 Excited v=1 7 2 5 - Ground v=0 8 2 6 2193.7532 2193.75300 0.00019 5.0000 Excited v=1 7 1 7 - Ground v=0 8 1 8 2193.7728 2193.77248 0.00031 5.0000 Excited v=1 5 1 5 - Ground v=0 5 2 4 2193.7926 2193.79293 -0.00033 1.0000 Excited v=1 5 0 5 - Ground v=0 6 1 6 2193.8031 2193.80347 -0.00037 1.0000 Excited v=1 6 1 5 - Ground v=0 7 1 6 2193.8229 2193.82300 -0.00010 1.0000 Excited v=1 4 1 4 - Ground v=0 4 2 3 2193.8274 2193.82758 -0.00018 1.0000 Excited v=1 6 0 6 - Ground v=0 7 0 7 2193.8522 2193.85213 0.00006 1.0000 Excited v=1 3 1 3 - Ground v=0 3 2 2 2193.8549 2193.85521 -0.00031 5.0000 Excited v=1 6 2 4 - Ground v=0 7 2 5 2193.8777 2193.87770 -0.00000 1.0000 Excited v=1 6 1 6 - Ground v=0 7 1 7 2193.8856 2193.88558 0.00001 1.0000 Excited v=1 6 2 5 - Ground v=0 7 2 6 2193.8927 2193.89233 0.00036 10.0000 Excited v=1 2 1 1 - Ground v=0 2 2 0 2193.9030 2193.90323 -0.00023 1.0000 Excited v=1 3 1 2 - Ground v=0 3 2 1 2193.9092 2193.90914 0.00005 1.0000 Excited v=1 4 1 3 - Ground v=0 4 2 2 2193.9156 2193.91571 -0.00011 1.0000 Excited v=1 6 1 5 - Ground v=0 6 2 4 2193.9260 2193.92627 -0.00027 1.0000 Excited v=1 5 1 4 - Ground v=0 6 1 5 2193.9429 2193.94278 0.00011 1.0000 Excited v=1 6 3 3 - Ground v=0 7 3 4 2193.9537 2193.95305 0.00064 5.0000 Excited v=1 5 0 5 - Ground v=0 6 0 6 2193.9637 2193.96369 0.00000 1.0000 Excited v=1 3 0 3 - Ground v=0 4 1 4 2193.9847 2193.98476 -0.00006 1.0000 Excited v=1 5 1 5 - Ground v=0 6 1 6 2193.9972 2193.99683 0.00036 1.0000 Excited v=1 5 2 4 - Ground v=0 6 2 5 2194.0080 2194.00833 -0.00033 1.0000 Excited v=1 6 1 6 - Ground v=0 7 0 7 2194.0248 2194.02455 0.00024 1.0000 Excited v=1 4 1 3 - Ground v=0 5 1 4 2194.0610 2194.06090 0.00009 1.0000 Excited v=1 5 3 3 - Ground v=0 6 3 4 2194.0715 2194.07112 0.00037 10.0000 Excited v=1 4 0 4 - Ground v=0 5 0 5 2194.0749 2194.07449 0.00040 1.0000 Excited v=1 4 1 4 - Ground v=0 5 1 5 2194.1063 2194.10620 0.00009 1.0000 Excited v=1 4 2 2 - Ground v=0 5 2 3 2194.1175 2194.11712 0.00037 1.0000 Excited v=1 4 2 3 - Ground v=0 5 2 4 2194.1228 2194.12242 0.00037 1.0000 Excited v=1 7 0 7 - Ground v=0 7 1 6 2194.1550 2194.15408 0.00091 1.0000 Excited v=1 5 1 5 - Ground v=0 6 0 6 2194.1569 2194.15706 -0.00016 5.0000 Excited v=1 1 0 1 - Ground v=0 2 1 2 2194.1719 2194.17172 0.00017 1.0000 Excited v=1 3 1 2 - Ground v=0 4 1 3 2194.1781 2194.17725 0.00084 1.0000 Excited v=1 3 0 3 - Ground v=0 4 0 4 2194.1851 2194.18437 0.00072 1.0000 Excited v=1 3 1 3 - Ground v=0 4 1 4 2194.2139 2194.21364 0.00025 1.0000 Excited v=1 3 2 1 - Ground v=0 4 2 2 2194.2325 2194.23190 0.00059 1.0000 Excited v=1 3 2 2 - Ground v=0 4 2 3 2194.2351 2194.23455 0.00054 5.0000 Excited v=1 5 0 5 - Ground v=0 5 1 4 2194.2590 2194.25856 0.00043 1.0000 Excited v=1 4 1 4 - Ground v=0 5 0 5 2194.2872 2194.28697 0.00022 1.0000 Excited v=1 4 0 4 - Ground v=0 4 1 3 2194.2969 2194.29635 0.00054 1.0000 Excited v=1 3 3 1 - Ground v=0 4 3 2 2194.2996 2194.29909 0.00050 1.0000 Excited v=1 2 1 2 - Ground v=0 3 1 3 2194.3194 2194.31909 0.00030 1.0000 Excited v=1 3 0 3 - Ground v=0 3 1 2 2194.3259 2194.32555 0.00034 1.0000 Excited v=1 1 0 1 - Ground v=0 1 1 0 2194.3612 2194.36071 0.00048 1.0000 Excited v=1 1 0 1 - Ground v=0 2 0 2 2194.4007 2194.40043 0.00026 1.0000 Excited v=1 1 1 0 - Ground v=0 2 1 1 2194.4039 2194.40420 -0.00030 1.0000 Excited v=1 3 1 3 - Ground v=0 4 0 4 2194.4134 2194.41325 0.00014 1.0000 Excited v=1 1 1 1 - Ground v=0 2 1 2 2194.4227 2194.42249 0.00020 1.0000 Excited v=1 0 0 0 - Ground v=0 1 0 1 2194.5059 2194.50605 -0.00015 1.0000 Excited v=1 4 1 4 - Ground v=0 4 1 3 2194.5093 2194.50883 0.00046 5.0000 Excited v=1 8 2 7 - Ground v=0 8 2 6 2194.5311 2194.53076 0.00033 1.0000 Excited v=1 2 1 2 - Ground v=0 3 0 3 2194.5349 2194.53494 -0.00004 1.0000 Excited v=1 3 1 3 - Ground v=0 3 1 2 2194.5545 2194.55443 0.00006 1.0000 Excited v=1 2 0 2 - Ground v=0 1 1 1 2194.5726 2194.57248 0.00011 1.0000 Excited v=1 2 1 2 - Ground v=0 2 1 1 2194.5886 2194.58865 -0.00005 1.0000 Excited v=1 6 2 5 - Ground v=0 6 2 4 2194.5978 2194.59790 -0.00010 1.0000 Excited v=1 1 1 1 - Ground v=0 1 1 0 2194.6113 2194.61148 -0.00018 1.0000 Excited v=1 1 1 0 - Ground v=0 1 1 1 2194.6296 2194.62985 -0.00025 1.0000 Excited v=1 2 1 1 - Ground v=0 2 1 2 2194.6438 2194.64377 0.00002 5.0000 Excited v=1 3 2 1 - Ground v=0 3 2 2 2194.6502 2194.65022 -0.00002 1.0000 Excited v=1 2 2 1 - Ground v=0 2 2 0 2194.6555 2194.65538 0.00011 5.0000 Excited v=1 3 1 2 - Ground v=0 3 1 3 2194.6647 2194.66464 0.00005 5.0000 Excited v=1 3 0 3 - Ground v=0 2 1 2 2194.6774 2194.67760 -0.00020 1.0000 Excited v=1 6 3 3 - Ground v=0 6 3 4 2194.6820 2194.68145 0.00054 5.0000 Excited v=1 5 3 3 - Ground v=0 5 3 2 2194.6942 2194.69425 -0.00005 10.0000 Excited v=1 4 3 1 - Ground v=0 4 3 2 2194.7056 2194.70547 0.00012 5.0000 Excited v=1 1 0 1 - Ground v=0 0 0 0 2194.7109 2194.71114 -0.00024 1.0000 Excited v=1 3 3 1 - Ground v=0 3 3 0 2194.7140 2194.71428 -0.00028 1.0000 Excited v=1 3 3 0 - Ground v=0 3 3 1 2194.7140 2194.71429 -0.00029 1.0000 Excited v=1 4 4 1 - Ground v=0 4 4 0 2194.7960 2194.79603 -0.00003 1.0000 Excited v=1 2 0 2 - Ground v=0 1 0 1 2194.8095 2194.81009 -0.00059 1.0000 Excited v=1 2 1 2 - Ground v=0 1 1 1 2194.8143 2194.81430 -0.00000 1.0000 Excited v=1 2 1 1 - Ground v=0 1 1 0 2194.8329 2194.83275 0.00014 1.0000 Excited v=1 2 1 1 - Ground v=0 2 0 2 2194.8724 2194.87248 -0.00008 1.0000 Excited v=1 3 1 2 - Ground v=0 3 0 3 2194.8806 2194.88049 0.00010 1.0000 Excited v=1 4 1 3 - Ground v=0 4 0 4 2194.8918 2194.89208 -0.00028 10.0000 Excited v=1 3 0 3 - Ground v=0 2 0 2 2194.9064 2194.90631 0.00008 1.0000 Excited v=1 6 1 5 - Ground v=0 6 0 6 2194.9290 2194.92901 -0.00001 1.0000 Excited v=1 3 1 2 - Ground v=0 2 1 1 2194.9340 2194.93421 -0.00021 1.0000 Excited v=1 7 1 6 - Ground v=0 7 0 7 2194.9563 2194.95603 0.00026 1.0000 Excited v=1 3 2 1 - Ground v=0 2 2 0 2194.9611 2194.96096 0.00013 5.0000 Excited v=1 8 1 7 - Ground v=0 8 0 8 2194.9900 2194.98981 0.00018 1.0000 Excited v=1 4 1 4 - Ground v=0 3 1 3 2194.9958 2194.99622 -0.00042 1.0000 Excited v=1 4 0 4 - Ground v=0 3 0 3 2194.9992 2194.99959 -0.00039 1.0000 Excited v=1 4 1 3 - Ground v=0 3 1 2 2195.0332 2195.03325 -0.00005 1.0000 Excited v=1 2 1 2 - Ground v=0 1 0 1 2195.0515 2195.05192 -0.00042 5.0000 Excited v=1 4 2 3 - Ground v=0 3 2 2 2195.0546 2195.05455 0.00004 1.0000 Excited v=1 4 2 2 - Ground v=0 3 2 1 2195.0571 2195.05697 0.00012 5.0000 Excited v=1 5 1 5 - Ground v=0 4 1 4 2195.0834 2195.08348 -0.00008 1.0000 Excited v=1 5 0 5 - Ground v=0 4 0 4 2195.0895 2195.08973 -0.00023 1.0000 Excited v=1 7 0 7 - Ground v=0 6 1 6 2195.1000 2195.09985 0.00014 1.0000 Excited v=1 4 3 1 - Ground v=0 3 3 0 2195.1207 2195.12066 0.00003 1.0000 Excited v=1 5 1 4 - Ground v=0 4 1 3 2195.1297 2195.12983 -0.00013 1.0000 Excited v=1 3 1 3 - Ground v=0 2 0 2 2195.1349 2195.13519 -0.00029 1.0000 Excited v=1 5 2 3 - Ground v=0 4 2 2 2195.1514 2195.15149 -0.00009 1.0000 Excited v=1 6 1 6 - Ground v=0 5 1 5 2195.1680 2195.16823 -0.00023 1.0000 Excited v=1 6 0 6 - Ground v=0 5 0 5 2195.1764 2195.17659 -0.00019 1.0000 Excited v=1 8 0 8 - Ground v=0 7 1 7 2195.2011 2195.20124 -0.00014 1.0000 Excited v=1 6 1 5 - Ground v=0 5 1 4 2195.2236 2195.22387 -0.00027 1.0000 Excited v=1 7 2 5 - Ground v=0 7 1 6 2195.2330 2195.23315 -0.00015 1.0000 Excited v=1 6 2 5 - Ground v=0 5 2 4 2195.2364 2195.23650 -0.00010 1.0000 Excited v=1 6 2 4 - Ground v=0 5 2 3 2195.2446 2195.24462 -0.00002 1.0000 Excited v=1 7 1 7 - Ground v=0 6 1 6 2195.2504 2195.25044 -0.00004 1.0000 Excited v=1 7 0 7 - Ground v=0 6 0 6 2195.2600 2195.26008 -0.00008 1.0000 Excited v=1 6 2 4 - Ground v=0 6 1 5 2195.2656 2195.26554 0.00005 1.0000 Excited v=1 5 1 5 - Ground v=0 4 0 4 2195.2827 2195.28309 -0.00039 1.0000 Excited v=1 5 2 3 - Ground v=0 5 1 4 2195.2965 2195.29668 -0.00018 1.0000 Excited v=1 9 0 9 - Ground v=0 8 1 8 2195.2992 2195.29910 0.00009 1.0000 Excited v=1 6 3 3 - Ground v=0 5 3 2 2195.3045 2195.30458 -0.00008 1.0000 Excited v=1 7 1 6 - Ground v=0 6 1 5 2195.3152 2195.31530 -0.00010 1.0000 Excited v=1 7 2 6 - Ground v=0 6 2 5 2195.3242 2195.32380 0.00039 1.0000 Excited v=1 8 1 8 - Ground v=0 7 1 7 2195.3300 2195.33010 -0.00010 1.0000 Excited v=1 7 2 5 - Ground v=0 6 2 4 2195.3362 2195.33642 -0.00022 1.0000 Excited v=1 8 0 8 - Ground v=0 7 0 7 2195.3403 2195.34021 0.00008 1.0000 Excited v=1 3 2 1 - Ground v=0 3 1 2 2195.3491 2195.34944 -0.00034 5.0000 Excited v=1 2 2 0 - Ground v=0 2 1 1 2195.3689 2195.36867 0.00022 5.0000