Fluoromethane-d3

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
12.67PEBrundle, Robin, et al., 1970

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   C3ν     Symmetry Number σ = 3
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a1 1 CD3 s-str 2110  E 2090 gas FR(2ν5)
a1 1 CD3 s-str 2110  E 2150 gas FR(2ν5)
a1 2 CD3 s-deform 1136  A 1136 gas
a1 3 CF str 991  A 991 gas
e 4 CD3 d-str 2258  A 2258 gas
e 5 CD3 d-deform 1072  A 1072 gas
e 6 CD3 rock 903  A 903 gas

Source: Shimanouchi, 1972

Notes

FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
A0~1 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H., Electronic energies and electronic structures of the fluoromethanes, J. Chem. Phys., 1970, 53, 2196. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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