Fermi resonance in the spectrum of deuterated monofluoroacetylene

Anttila, R.; Huhanantti, Mikko

doi:10.1016/0022-2852(75)90008-9

Cited by 11 publications

(3 citation statements)

References 15 publications

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“…After deposition, the noble-gas matrices contain mainly monomeric HCCF (DCCF), and the assignment is straightforward on the basis of the gas-phase data. , The IR spectra of HCCF and DCCF in a Kr matrix are shown in Figure . Reasonably small amounts of acetylene, water, CO 2 , and CHF 3 are present in the matrices as impurities.…”

Section: Resultsmentioning

confidence: 99%

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Matrix-Isolation and ab Initio Study of HNgCCF and HCCNgF Molecules (Ng = Ar, Kr, and Xe)

et al. 2010

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We report three new noble-gas molecules prepared in low-temperature Kr and Xe matrices from the HCCF precursor by UV photolysis and thermal annealing. The identified molecules are two noble-gas hydrides HNgCCF (Ng ) Kr and Xe) and a molecule of another type, HCCKrF. These molecules are assigned with the help of ab initio calculations. All strong absorptions predicted by theory are found in experiments with proper deuteration shifts. The experiments and theory suggest a higher stability against dissociation of HNgCCF molecules compared to HNgCCH reported previously. Surprisingly, only very tentative traces of HCCXeF, which is computationally very stable, are found in experiments. No strong evidence of similar argon compounds is found here.

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Section: Resultsmentioning

confidence: 99%

“… a The computational intensities (in km mol −1 ) are in parentheses. b At the MP2/aug-cc-pVTZ level of theory. c Weak bands marked with w are probably from HCCF dimers. d From ref . e Only the deuterated species was studied in a Ne matrix. f The CC stretching mode is split due to the Fermi resonance discussed in ref . …”

Section: Calculationsmentioning

confidence: 99%

Matrix-Isolation and ab Initio Study of HNgCCF and HCCNgF Molecules (Ng = Ar, Kr, and Xe)

et al. 2010

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“…The as-deposited matrices contain mainly monomeric HCCF (DCCF) [15], and the band assignment is straightforward using the gas-phase data [17,18]. Some amounts of acetylene, water, CO 2 , and CHF 3 are present in the matrices as an impurity.…”

Section: Experimental Results and Experimental Assignmentmentioning

confidence: 99%