Open configuration in the electronic ground state (EGS) |
Equilibrium: tree oxygen atoms forming the isosceles triangle (apex angle qe=116.7542°, two equal bonds re=1.27173 Å) |
Normal mode vibrations |
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"Stretching" symmetric vibration q1 |
"Bending" vibration q2 |
"Stretching" asymmetric vibration q3 |
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Spectroscopic constants |
Isotopic species |
Calculated |
Rot.parameters of Vib.ground state, cm-1 |
Fundamental vibration wavenumbers, cm-1 |
formula |
code |
mass, a.u. |
Q(296K) |
(*) |
abundance, % |
A |
B |
C |
(*) |
ν1 |
ν2 |
ν3 |
(*) |
16O16O16O | 666 | 47.984745 | 3473.00 | | 99.2901000000 | 3.55366659 | 0.44528320 | 0.39475182 | | 1103.137 | 700.931 | 1042.084 | |
16O17O16O | 676 | 48.988960 | 3543.00 | | 0.0370237000 | 3.41407204 | 0.44534406 | 0.39299485 | | 1087.829 | 697.079 | 1024.396 | |
16O18O16O | 686 | 49.988991 | 3599.00 | | 0.1990970000 | 3.29049897 | 0.44539922 | 0.39132965 | | 1074.308 | 693.306 | 1008.453 | |
18O16O18O | 868 | 51.993237 | 4050.00 | | 0.0004192288 | 3.42167473 | 0.39579007 | 0.35397425 | | 1072.217 | 668.085 | 1019.349 | |
18O18O18O | 888 | 53.997482 | 4145.00 | | 0.0000008615 | 3.15849614 | 0.39589524 | 0.35100099 | | 1041.556 | 661.492 | 984.819 | |
16O16O17O | 667 | 48.988960 | 7159.00 | | 0.0740475000 | 3.51880145 | 0.43201005 | 0.38386595 | | 1095.693 | 692.435 | 1035.359 | |
16O17O17O | 677 | 49.993179 | 7353.90 | | 0.0000288098 | 3.37920213 | 0.43206039 | 0.38217676 | | 1080.153 | 688.758 | 1017.534 | # |
16O16O18O | 668 | 49.988991 | 7385.00 | | 0.3981940000 | 3.48818517 | 0.42000833 | 0.37400895 | | 1090.354 | 684.613 | 1028.112 | |
17O16O17O | 767 | 49.993179 | 7489.00 | * | 0.0000144049 | 3.48365021 | 0.41902918 | 0.37317932 | | 1086.715 | 683.867 | 1030.037 | * |
16O18O17O | 687 | 50.993206 | 7565.00 | * | 0.0001554214 | 3.25564313 | 0.43210784 | 0.38055432 | | 1066.365 | 685.153 | 1001.511 | * |
16O17O18O | 678 | 50.993206 | 7649.00 | * | 0.0001554214 | 3.34860682 | 0.42004153 | 0.37235370 | | 1074.586 | 681.048 | 1010.129 | * |
17O16O18O | 768 | 50.993206 | 7745.00 | * | 0.0001554214 | 3.45278049 | 0.40729198 | 0.36349812 | | 1080.080 | 675.979 | 1024.026 | * |
16O18O18O | 688 | 51.993237 | 7747.00 | | 0.0008384576 | 3.22506213 | 0.42006895 | 0.37077963 | | 1060.708 | 677.504 | 993.925 | |
17O18O17O | 787 | 51.997421 | 7848.00 | * | 0.0000000296 | 3.22047353 | 0.41913924 | 0.36999366 | | 1056.916 | 676.853 | 996.016 | * |
17O17O18O | 778 | 51.997421 | 7937.00 | * | 0.0000000592 | 3.31317329 | 0.40734297 | 0.36191666 | | 1064.067 | 672.567 | 1006.012 | * |
17O18O18O | 788 | 52.997452 | 8115.00 | * | 0.0000003194 | 3.18961191 | 0.40738833 | 0.36041188 | | 1049.873 | 669.209 | 989.764 | * |
18O17O18O | 878 | 52.997452 | 8214.00 | * | 0.0000001597 | 3.28206992 | 0.39584625 | 0.35245207 | | 1055.924 | 664.755 | 1001.142 | * |
17O17O17O | 777 | 50.997395 | 135651.00 | | 0.0000000055 | 3.34403849 | 0.41908646 | 0.37154579 | | 1070.946 | 680.320 | 1012.163 | |
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Notes
(*) Q(296K) Values marked by asreisk are the parttion sums were calculated by R.Gamache (ref.[T101]).
All other values are taken from original papers on analysis of high resolution spectra (sf. H-section of the References).
(*) v1,v2,v3 Values marked by asreisk are theoretical estimations;
value marked by '#' the centers of the v1 and v3 band are borrowed from the experimental paper [H138]
and for the v2 band the theoretical estimation is given. All other values
All other values are are given as originally obtained from experimental high resolution spectra
(sf. H-section of the References).
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