These six tables list the fundamental vibrational frequencies of selected three-, four-, and five-atom molecules. Both stable molecules and transient free radicals are included. The data have been taken from evaluated sources. In general, the selected values are based on gas-phase infrared, Raman, or ultraviolet spectra; when these were not available, liquid-phase or matrix-isolation spectra were used.
Molecules are grouped by structural type. Within each group, related molecules appear together for convenient comparison.
The vibrational modes are described by their approximate character in terms of stretching, bending, deformation, etc. It should be emphasized, however, that most such descriptions are only approximate, and that the true normal mode usually involves a mixture of motions. Abbreviations for vibration types are as follows.
Abbreviation | Definition |
sym. | Symmetric |
antisym. | Antisymmetric |
str. | Stretch |
deform. | Deformation |
scis. | Scissors |
rock. | Rocking |
deg. | Degenerate |
In the case of free radicals, strong interactions may exist between the electronic and bending vibrational motions. Details can be found in Refs. 3 and 4. The references should be consulted for information on the accuracy of the data and for data on other molecules not listed here.
Column definitions for Tables 1-6 are as follows.
Column heading | Definition |
Mol. form. | Molecular formula of molecule |
Structure | Geometry of molecule (when appropriate) |
Vibration type | Fundamental vibration frequency for the vibration type specified by column heading; in units of cm-1 (wavenumbers) |
Mol. form. | Name | Structure | Sym. str./cm-1 | Bend/cm-1 | Antisym. str./cm-1 |
Continued on next page... | |||||
CO2 | Carbon dioxide | Linear | 1333 | 667 | 2349 |
CS2 | Carbon disulfide | Linear | 658 | 397 | 1535 |
C3 | Propadienediylidene | Linear | 1224 | 63 | 2040 |
CNC | Carbon nitride [CNC] | Linear | 321 | 1453 | |
NCN | Cyanoimidogen | Linear | 1197 | 423 | 1476 |
BO2 | Boron dioxide | Linear | 1056 | 447 | 1278 |
BS2 | Boron disulfide | Linear | 510 | 120 | 1015 |
KrF2 | Krypton difluoride | Linear | 449 | 233 | 590 |
XeF2 | Xenon difluoride | Linear | 515 | 213 | 555 |
XeCl2 | Xenon dichloride | Linear | 316 | 481 | |
H2O | Water | Bent | 3657 | 1595 | 3756 |
D2O | Water-d2 | Bent | 2671 | 1178 | 2788 |
F2O | Fluorine monoxide | Bent | 928 | 461 | 831 |
Cl2O | Chlorine monoxide | Bent | 639 | 296 | 686 |
O3 | Ozone | Bent | 1103 | 701 | 1042 |
H2S | Hydrogen sulfide | Bent | 2615 | 1183 | 2626 |
D2S | Hydrogen sulfide-d2 | Bent | 1896 | 855 | 1999 |
SF2 | Sulfur difluoride | Bent | 838 | 357 | 813 |
SCl2 | Sulfur dichloride | Bent | 525 | 208 | 535 |