Infrared spectra of the C2H2-(OCS)2 van der Waals complex: Observation of a structure with C2 symmetry by M. Rezaei, A.R.W. McKellar and N. Moazzen-Ahmadi Table A-3. Observed transitions correspnding to the b-type band of of C2D2-(OCS)2 in the OCS nu1 fundamental region (values in units of 1/cm). ***************************************************************************************** J' Ka' Kc' J" Ka" Kc" Observed Calculated Obs-Calc Weight ***************************************************************************************** 11 10 2 12 11 1 2048.66119 2048.66064 0.00054 0.3 11 10 1 12 11 2 2048.66119 2048.66064 0.00054 0.3 12 8 4 13 9 5 2048.66119 2048.66161 -0.00042 0.3 12 8 5 13 9 4 2048.66119 2048.66161 -0.00042 0.3 11 9 2 12 10 3 2048.68975 2048.68905 0.00069 0.3 11 9 3 12 10 2 2048.68975 2048.68905 0.00069 0.3 12 7 6 13 8 5 2048.68975 2048.68983 -0.00008 0.3 12 7 5 13 8 6 2048.68975 2048.68986 -0.00011 0.3 10 10 1 11 11 0 2048.71692 2048.71644 0.00047 0.3 10 10 0 11 11 1 2048.71692 2048.71644 0.00047 0.3 11 8 4 12 9 3 2048.71692 2048.71730 -0.00038 0.3 11 8 3 12 9 4 2048.71692 2048.71730 -0.00038 0.3 10 9 2 11 10 1 2048.74513 2048.74485 0.00027 0.3 10 9 1 11 10 2 2048.74513 2048.74485 0.00027 0.3 11 7 5 12 8 4 2048.74513 2048.74543 -0.00030 0.3 11 7 4 12 8 5 2048.74513 2048.74544 -0.00031 0.3 10 8 2 11 9 3 2048.77338 2048.77307 0.00030 0.3 10 8 3 11 9 2 2048.77338 2048.77307 0.00030 0.3 11 6 6 12 7 5 2048.77338 2048.77350 -0.00012 0.3 11 6 5 12 7 6 2048.77338 2048.77371 -0.00033 0.3 9 9 1 10 10 0 2048.80083 2048.80070 0.00012 0.3 9 9 0 10 10 1 2048.80083 2048.80070 0.00012 0.3 10 7 3 11 8 4 2048.80083 2048.80114 -0.00031 0.3 9 7 3 10 8 2 2048.85716 2048.85695 0.00020 0.5 9 7 2 10 8 3 2048.85716 2048.85695 0.00020 0.5 13 0 13 14 1 14 2048.87974 2048.87961 0.00012 0.5 13 1 13 14 0 14 2048.87974 2048.87962 0.00011 0.5 8 8 0 9 9 1 2048.88465 2048.88481 -0.00016 0.3 8 8 1 9 9 0 2048.88465 2048.88481 -0.00016 0.3 9 6 4 10 7 3 2048.88465 2048.88485 -0.00020 0.3 9 6 3 10 7 4 2048.88465 2048.88486 -0.00021 0.3 12 0 12 13 1 13 2048.93164 2048.93158 0.00005 0.5 12 1 12 13 0 13 2048.93164 2048.93160 0.00003 0.5 9 4 6 10 5 5 2048.93799 2048.93799 -0.00000 1.0 8 6 2 9 7 3 2048.94043 2048.94068 -0.00025 0.5 8 6 3 9 7 2 2048.94043 2048.94068 -0.00025 0.5 11 0 11 12 1 12 2048.98350 2048.98364 -0.00014 0.5 11 1 11 12 0 12 2048.98350 2048.98367 -0.00017 0.5 7 6 1 8 7 2 2048.99700 2048.99659 0.00040 0.5 7 6 2 8 7 1 2048.99700 2048.99659 0.00040 0.5 10 1 9 11 2 10 2049.02000 2049.01964 0.00035 1.0 7 5 3 8 6 2 2049.02437 2049.02426 0.00010 0.5 7 5 2 8 6 3 2049.02437 2049.02429 0.00007 0.5 10 0 10 11 1 11 2049.03623 2049.03577 0.00045 0.5 10 1 10 11 0 11 2049.03623 2049.03583 0.00039 0.5 6 6 0 7 7 1 2049.05232 2049.05258 -0.00026 0.5 6 6 1 7 7 0 2049.05232 2049.05258 -0.00026 0.5 6 5 2 7 6 1 2049.08012 2049.08021 -0.00009 0.5 6 5 1 7 6 2 2049.08012 2049.08022 -0.00010 0.5 9 0 9 10 1 10 2049.08823 2049.08796 0.00026 0.5 9 1 9 10 0 10 2049.08823 2049.08811 0.00011 0.5 6 4 3 7 5 2 2049.10770 2049.10762 0.00007 0.5 6 4 2 7 5 3 2049.10770 2049.10787 -0.00017 0.5 8 1 7 9 2 8 2049.12165 2049.12143 0.00021 1.0 5 5 1 6 6 0 2049.13620 2049.13624 -0.00004 0.5 5 5 0 6 6 1 2049.13620 2049.13624 -0.00004 0.5 8 0 8 9 1 9 2049.14029 2049.14018 0.00010 0.5 8 1 8 9 0 9 2049.14029 2049.14051 -0.00022 0.5 5 4 2 6 5 1 2049.16360 2049.16367 -0.00007 0.5 5 4 1 6 5 2 2049.16360 2049.16372 -0.00012 0.5 7 1 6 8 2 7 2049.17124 2049.17103 0.00020 1.0 6 2 4 7 3 5 2049.17875 2049.17877 -0.00002 1.0 7 2 6 8 1 7 2049.18520 2049.18508 0.00011 1.0 5 3 3 6 4 2 2049.19025 2049.19026 -0.00001 1.0 7 1 7 8 0 8 2049.19282 2049.19311 -0.00029 1.0 7 3 5 8 2 6 2049.20341 2049.20324 0.00016 1.0 5 2 4 6 3 3 2049.20832 2049.20842 -0.00010 1.0 5 2 3 6 3 4 2049.22749 2049.22767 -0.00018 1.0 4 2 2 5 3 3 2049.27842 2049.27863 -0.00021 1.0 5 0 5 6 1 6 2049.29608 2049.29627 -0.00019 1.0 5 1 5 6 0 6 2049.29919 2049.29935 -0.00016 1.0 3 3 1 4 4 0 2049.30264 2049.30310 -0.00046 0.5 3 3 0 4 4 1 2049.30264 2049.30316 -0.00052 0.5 3 2 2 4 3 1 2049.32857 2049.32879 -0.00022 1.0 3 2 1 4 3 2 2049.33162 2049.33175 -0.00013 1.0 4 0 4 5 1 5 2049.34751 2049.34761 -0.00010 1.0 4 1 4 5 0 5 2049.35327 2049.35344 -0.00017 1.0 3 1 2 4 2 3 2049.36658 2049.36674 -0.00016 1.0 2 2 1 3 3 0 2049.38616 2049.38606 0.00009 0.5 2 2 0 3 3 1 2049.38616 2049.38665 -0.00049 0.5 3 0 3 4 1 4 2049.39819 2049.39851 -0.00032 1.0 3 1 3 4 0 4 2049.40843 2049.40858 -0.00015 1.0 1 1 1 2 2 0 2049.46761 2049.46742 0.00018 1.0 6 2 4 6 3 3 2049.56920 2049.56906 0.00013 1.0 6 1 5 6 2 4 2049.58276 2049.58265 0.00010 1.0 3 0 3 3 1 2 2049.59729 2049.59734 -0.00005 1.0 2 0 2 2 1 1 2049.60363 2049.60351 0.00011 1.0 1 1 0 1 0 1 2049.63663 2049.63677 -0.00014 1.0 2 1 1 2 0 2 2049.64023 2049.64048 -0.00025 1.0 3 1 2 3 0 3 2049.64711 2049.64694 0.00016 1.0 4 2 2 4 1 3 2049.65519 2049.65488 0.00030 0.5 6 2 4 6 1 5 2049.66240 2049.66230 0.00009 1.0 6 3 3 6 2 4 2049.67516 2049.67516 -0.00000 1.0 7 3 5 7 2 6 2049.70284 2049.70297 -0.00013 0.5 3 1 3 2 0 2 2049.79477 2049.79493 -0.00016 1.0 4 1 3 3 2 2 2049.82074 2049.82060 0.00013 1.0 3 2 2 2 1 1 2049.82576 2049.82567 0.00008 1.0 4 0 4 3 1 3 2049.83627 2049.83618 0.00008 1.0 3 3 1 2 2 0 2049.85639 2049.85633 0.00005 0.5 3 3 0 2 2 1 2049.85639 2049.85693 -0.00054 0.5 4 2 3 3 1 2 2049.87733 2049.87731 0.00001 1.0 5 0 5 4 1 4 2049.89216 2049.89197 0.00018 1.0 5 1 5 4 0 4 2049.89772 2049.89781 -0.00009 1.0 4 3 2 3 2 1 2049.91158 2049.91153 0.00004 1.0 4 3 1 3 2 2 2049.91447 2049.91453 -0.00006 1.0 4 4 1 3 3 0 2049.93932 2049.93898 0.00033 0.5 4 4 0 3 3 1 2049.93932 2049.93904 0.00027 0.5 6 1 5 5 2 4 2049.94356 2049.94330 0.00025 1.0 6 0 6 5 1 5 2049.94706 2049.94688 0.00017 1.0 6 1 6 5 0 5 2049.95026 2049.94997 0.00028 1.0 5 3 3 4 2 2 2049.96532 2049.96503 0.00028 1.0 5 3 2 4 2 3 2049.97397 2049.97379 0.00017 1.0 6 2 5 5 1 4 2049.97706 2049.97691 0.00014 1.0 5 4 2 4 3 1 2049.99564 2049.99528 0.00035 0.5 5 4 1 4 3 2 2049.99564 2049.99574 -0.00010 0.5 7 1 7 6 0 6 2050.00288 2050.00275 0.00012 0.5 7 1 6 6 2 5 2050.00288 2050.00323 -0.00035 0.5 6 3 4 5 2 3 2050.01656 2050.01643 0.00012 1.0 5 5 1 4 4 0 2050.02146 2050.02123 0.00022 0.5 5 5 0 4 4 1 2050.02146 2050.02124 0.00021 0.5 7 2 6 6 1 5 2050.02608 2050.02597 0.00010 1.0 6 3 3 5 2 4 2050.03594 2050.03582 0.00011 1.0 6 4 2 5 3 3 2050.05315 2050.05280 0.00034 0.5 8 0 8 7 1 7 2050.05560 2050.05528 0.00031 0.5 8 1 8 7 0 7 2050.05560 2050.05600 -0.00040 0.5 7 3 5 6 2 4 2050.06592 2050.06586 0.00005 1.0 6 5 2 5 4 1 2050.07786 2050.07779 0.00006 0.5 6 5 1 5 4 2 2050.07786 2050.07784 0.00001 0.5 6 6 1 5 5 0 2050.10334 2050.10331 0.00002 0.5 6 6 0 5 5 1 2050.10334 2050.10331 0.00002 0.5 9 0 9 8 1 8 2050.10949 2050.10921 0.00027 0.5 9 1 9 8 0 8 2050.10949 2050.10954 -0.00005 0.5 9 2 8 8 1 7 2050.12625 2050.12622 0.00002 1.0 7 5 3 6 4 2 2050.13433 2050.13423 0.00009 0.5 7 5 2 6 4 3 2050.13433 2050.13449 -0.00016 0.5 7 6 1 6 5 2 2050.16010 2050.15995 0.00014 0.5 7 6 2 6 5 1 2050.16010 2050.15995 0.00014 0.5 10 0 10 9 1 9 2050.16297 2050.16313 -0.00016 0.5 10 1 10 9 0 9 2050.16297 2050.16327 -0.00030 0.5 10 1 9 9 2 8 2050.17351 2050.17371 -0.00020 1.0 10 2 9 9 1 8 2050.17805 2050.17800 0.00004 1.0 7 7 0 6 6 1 2050.18525 2050.18523 0.00001 0.5 7 7 1 6 6 0 2050.18525 2050.18523 0.00001 0.5 8 5 3 7 4 4 2050.19096 2050.19127 -0.00031 0.5 8 6 3 7 5 2 2050.21679 2050.21657 0.00021 0.3 8 6 2 7 5 3 2050.21679 2050.21660 0.00018 0.3 11 0 11 10 1 10 2050.21679 2050.21708 -0.00029 0.3 11 1 11 10 0 10 2050.21679 2050.21715 -0.00036 0.3 11 1 10 10 2 9 2050.22843 2050.22849 -0.00006 1.0 11 2 9 10 3 8 2050.23061 2050.23033 0.00027 0.5 11 2 10 10 1 9 2050.23061 2050.23067 -0.00006 0.5 8 7 1 7 6 2 2050.24189 2050.24193 -0.00004 0.5 8 7 2 7 6 1 2050.24189 2050.24193 -0.00004 0.5 9 5 5 8 4 4 2050.24590 2050.24564 0.00025 1.0 8 8 0 7 7 1 2050.26692 2050.26701 -0.00009 0.5 8 8 1 7 7 0 2050.26692 2050.26701 -0.00009 0.5 12 0 12 11 1 11 2050.27093 2050.27110 -0.00017 0.5 12 1 12 11 0 11 2050.27093 2050.27113 -0.00020 0.5 9 6 4 8 5 3 2050.27306 2050.27311 -0.00005 0.5 9 6 3 8 5 4 2050.27306 2050.27325 -0.00019 0.5 9 7 2 8 6 3 2050.29867 2050.29863 0.00003 0.5 9 7 3 8 6 2 2050.29867 2050.29863 0.00003 0.5 10 5 5 9 4 6 2050.30622 2050.30636 -0.00014 1.0 10 5 5 9 4 6 2050.30622 2050.30636 -0.00014 1.0 9 8 1 8 7 2 2050.32385 2050.32375 0.00009 0.5 9 8 2 8 7 1 2050.32385 2050.32375 0.00009 0.5 9 8 2 8 7 1 2050.32385 2050.32375 0.00009 0.5 9 8 1 8 7 2 2050.32385 2050.32375 0.00009 0.5 10 6 5 9 5 4 2050.32971 2050.32944 0.00026 0.5 10 6 5 9 5 4 2050.32971 2050.32944 0.00026 0.5 10 6 4 9 5 5 2050.32971 2050.32991 -0.00020 0.5 10 6 4 9 5 5 2050.32971 2050.32991 -0.00020 0.5 13 1 12 12 2 11 2050.33719 2050.33707 0.00011 0.5 13 1 12 12 2 11 2050.33719 2050.33707 0.00011 0.5 13 2 12 12 1 11 2050.33719 2050.33758 -0.00039 0.5 13 2 12 12 1 11 2050.33719 2050.33758 -0.00039 0.5 9 9 0 8 8 1 2050.34844 2050.34863 -0.00019 0.5 9 9 1 8 8 0 2050.34844 2050.34863 -0.00019 0.5 9 9 0 8 8 1 2050.34844 2050.34863 -0.00019 0.5 9 9 1 8 8 0 2050.34844 2050.34863 -0.00019 0.5 10 7 4 9 6 3 2050.35504 2050.35532 -0.00028 0.5 10 7 4 9 6 3 2050.35504 2050.35532 -0.00028 0.5 10 7 3 9 6 4 2050.35504 2050.35534 -0.00030 0.5 10 7 3 9 6 4 2050.35504 2050.35534 -0.00030 0.5 10 8 2 9 7 3 2050.37998 2050.38052 -0.00054 0.5 10 9 1 9 8 2 2050.40561 2050.40543 0.00017 0.5 10 9 2 9 8 1 2050.40561 2050.40543 0.00017 0.5 11 7 5 10 6 4 2050.41217 2050.41194 0.00022 0.5 11 7 4 10 6 5 2050.41217 2050.41201 0.00015 0.5 10 10 1 9 9 0 2050.43014 2050.43011 0.00002 0.5 10 10 0 9 9 1 2050.43014 2050.43011 0.00002 0.5 15 1 15 14 0 14 2050.43373 2050.43365 0.00007 0.5 15 0 15 14 1 14 2050.43373 2050.43365 0.00007 0.5 11 8 4 10 7 3 2050.43736 2050.43729 0.00006 0.5 11 8 3 10 7 4 2050.43736 2050.43729 0.00006 0.5 11 9 3 10 8 2 2050.46223 2050.46225 -0.00002 0.5 11 9 2 10 8 3 2050.46223 2050.46225 -0.00002 0.5 13 6 8 12 5 7 2050.49417 2050.49378 0.00038 0.3 12 8 5 11 7 4 2050.49417 2050.49404 0.00012 0.3 12 8 4 11 7 5 2050.49417 2050.49405 0.00011 0.3 12 9 4 11 8 3 2050.51905 2050.51908 -0.00003 0.5 12 9 3 11 8 4 2050.51905 2050.51908 -0.00003 0.5 12 10 2 11 9 3 2050.54363 2050.54383 -0.00020 0.5 12 10 3 11 9 2 2050.54363 2050.54383 -0.00020 0.5 13 8 6 12 7 5 2050.55059 2050.55074 -0.00015 0.3 13 8 6 12 7 5 2050.55059 2050.55074 -0.00015 0.3 13 8 5 12 7 6 2050.55059 2050.55077 -0.00018 0.3 13 8 5 12 7 6 2050.55059 2050.55077 -0.00018 0.3 12 11 1 11 10 2 2050.56848 2050.56833 0.00014 0.5 12 11 2 11 10 1 2050.56848 2050.56833 0.00014 0.5 12 11 1 11 10 2 2050.56848 2050.56833 0.00014 1.0 12 11 2 11 10 1 2050.56848 2050.56833 0.00014 1.0 13 9 5 12 8 4 2050.57582 2050.57592 -0.00010 0.5 13 9 4 12 8 5 2050.57582 2050.57592 -0.00010 0.5 13 9 4 12 8 5 2050.57582 2050.57592 -0.00010 1.0 13 9 5 12 8 4 2050.57582 2050.57592 -0.00010 1.0 12 12 0 11 11 1 2050.59267 2050.59261 0.00005 0.5 12 12 1 11 11 0 2050.59267 2050.59261 0.00005 0.5 12 12 1 11 11 0 2050.59267 2050.59261 0.00005 1.0 12 12 0 11 11 1 2050.59267 2050.59261 0.00005 1.0 13 10 4 12 9 3 2050.60083 2050.60072 0.00010 0.5 13 10 3 12 9 4 2050.60083 2050.60072 0.00010 0.5 13 10 4 12 9 3 2050.60083 2050.60072 0.00010 1.0 13 10 3 12 9 4 2050.60083 2050.60072 0.00010 1.0 13 11 2 12 10 3 2050.62502 2050.62525 -0.00023 0.5 13 11 3 12 10 2 2050.62502 2050.62525 -0.00023 0.5 13 11 2 12 10 3 2050.62502 2050.62525 -0.00023 1.0 13 11 3 12 10 2 2050.62502 2050.62525 -0.00023 1.0