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• W2767810040 abstract "The conformational landscape of the bicyclic molecule 2-decalone has been studied in a jet-cooled expansion by using rotational spectroscopy. The investigation covered the frequency region 7-19 GHz using broadband fast-passage IMPACT Fourier-transform microwave techniques. The introduction of the asymmetric carbonyl substituent in the double-chair decalin skeleton originates two distinct inverting conformers with cis ring junction, which were independently identified and characterized in the gas phase. Additionally, a single trans conformer was detected, as expected for the non-inverting equatorial ring junction. Accurate rotational parameters and quartic centrifugal distortion constants have been determined for the three observed species. A population estimation is given for the observed conformations based on relative intensities. Supporting ab initio calculations up to MP2/cc-pVTZ complement the experimental work." @default.
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• W2767810040 date "2017-11-06" @default.
• W2767810040 modified "2023-10-01" @default.
• W2767810040 title "Inversion of Bicyclic Decanes: Rotational Spectra of the <i>Trans</i> and Double <i>Cis</i> Conformations of 2-Decalone" @default.
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• W2767810040 doi "https://doi.org/10.1002/cphc.201700848" @default.
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