| Alternative title | The CO2 molecule is never linear |
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| DOI | Resolve DOI: https://doi.org/10.1016/j.molstruc.2020.128087 |
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| Author | Search for: Jensen, Per; Search for: Spanner, M.1; Search for: Bunker, P. R. |
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| Affiliation | - National Research Council of Canada. Security and Disruptive Technologies
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| Format | Text, Article |
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| Subject | bending distribution functions; CEI experiments; CO₂ is not linear |
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| Abstract | We make an ab initio calculation of the bending distribution functions for low lying vibrational states of the CO₂ molecule in its ground electronic state. These functions have their maximum values at a non-linear geometry, and the value zero at linearity, despite the fact that the potential surface has its minimum value at linearity. These functions are in accord with experimental distribution functions inferred by analysis of Coulomb Explosion Imaging experiments. Thus in a femto-second ‘snapshot’ of a room temperature ensemble of gas phase rotating-vibrating CO₂ molecules, none would be linear. The same can be said for any triatomic molecule. |
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| Publication date | 2020-03-31 |
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| Publisher | Elsevier |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 9dd4c212-3f4f-4e84-b5cd-fa3c8215aeb5 |
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| Record created | 2020-06-26 |
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| Record modified | 2021-05-20 |
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