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• W1974903021 abstract "FTIR spectra of 12CDF3 are reported at resolutions up to 0.006 cm−1 for the CD stretching fundamental and overtone transitions. For the band associated most closely with the CD stretching fundamental, the rotational J and K structure is largely resolved and analysis gives ν̃eff1=2261.2637 cm−1, A’=B’=0.329 5858 cm−1, C’=0.189 0758 cm−1, D’J=3.006×10−7 cm−1, DJK=−3.62×10−7 cm−1, and D’K=1.94×10−7 cm−1. (For further constants see Tables I and 2). The large value of B‘−B’=0.001 347 cm−1 is interpreted in terms of a strong Fermi resonance between ν1 and 2ν2 (symmetrical CF3 stretching vibration) with an effective two‐state coupling constant ‖k122‖≂80 cm−1. Alternatives to this assignment are discussed and it is shown that the two‐state coupling model is only part of a larger coupling scheme involving several states in addition to 2ν2. The rotational structure of the second Fermi resonance component shows severe perturbations for values of K>33. Analysis of 157 assigned lines gives a band center at 2152.2796 cm−1, with unusual ΔB and ΔC values providing further evidence for multistate interactions. This interpretation is also supported by the structure of the CD overtone transition (2νeff1=4383.858 cm−1) and further evidence. The results are discussed in relation to Fermi resonances observed in CHF3 and substantial differences in vibrational redistribution involving the CH and the CD chromophores are observed." @default.
• W1974903021 created "2016-06-24" @default.
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• W1974903021 date "1986-07-01" @default.
• W1974903021 modified "2023-09-26" @default.
• W1974903021 title "High resolution FTIR spectra of CDF₃in the CD stretching fundamental and overtone regions" @default.
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• W1974903021 doi "https://doi.org/10.1063/1.451609" @default.
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