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Tan, Augustine Tuck Lee
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The infrared spectra of ๐œˆ11 band of 13C2H4 ranging from 2910 cm-1 to 3020 cm-1 was collected and analysed using the high-resolution Fourier transform infrared (FTIR) spectroscopy with a resolution of 0.0063 cm-1. A total of 585 unperturbed infrared absorption lines were assigned and fitted. Using Watsonโ€™s A-reduced Hamiltonian in the Ir representation, improved rovibrational constants, specifically rotational constants B and C; and quartic terms ๐›ฟ๐ฝ and ๐›ฟ๐‘˜ for upper state ( ๐‘ฃ11= 1) were derived. The root-mean-square deviation of the fit in this work is at 0.00080 cm-1, which is lower than the accuracy of the measurements of the spectral line positions of ยฑ 0.001 cm-1. The band centre of the ๐œˆ11 band of 13C2H4, ๐œˆ๐‘œ, was determined as 2969.602782 ยฑ 0.000072 cm-1 for the upper state ๐‘ฃ11=1.

In addition, the rovibrational constants of the upper state ๐‘ฃ11=1 state derived from this work also agreed and aligned closely with the computational calculations using the MP2/cc-pVQZ and B3LYP/cc-pVQZ levels of theory. The improved constants reported in this work can be used as a reference for future works on ethylene and its isotopologues.
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QD96.I5 Kok
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Appears in Collections:Master of Science (Life Sciences)

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