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• W3111175319 abstract "Abstract The rotational spectrum of 2‐methoxypyridine⋅⋅⋅CO 2 was recorded and analysed employing a cavity‐based Fourier transform microwave spectrometer, complemented with quantum chemical calculations which predicted three possible isomers within energies less than 1000 cm −1 . The two most stable isomers were observed in the pulsed jet, which are stabilized by a network of C⋅⋅⋅N/O tetrel and C−H⋅⋅⋅O weak hydrogen bonds. The relative population ratio of the two detected isomers was estimated to be N I / N II ≈2.5. The competition and cooperation of the present non‐covalent interactions in both isomers are discussed within the framework of Bader's quantum theory of atoms in molecules and Johnson's non‐covalent interaction analyses. The study shows, that when looking for CO 2 adsorbents, one might prefer candidates with multiple interactions in one site over candidates with few but strong interactions." @default.
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• W3111175319 date "2020-12-14" @default.
• W3111175319 modified "2023-10-03" @default.
• W3111175319 title "Conformational Equilibria of 2‐Methoxypyridine⋅⋅⋅CO₂: Cooperative and Competitive Tetrel and Weak Hydrogen Bonds" @default.
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• W3111175319 doi "https://doi.org/10.1002/cphc.202000910" @default.
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