[2H3]acetonitrile

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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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.01101EFDSuess, Liu, et al., 2003B

Ionization energy determinations

IE (eV) Method Reference Comment
13.14PELake and Thompson, 1970RDSH
15.17PELake and Thompson, 1970RDSH
12.29 ± 0.05EIFranklin, Wada, et al., 1966RDSH
12.23PELake and Thompson, 1970Vertical value; RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

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:   C     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 2126  A 2125.6 gas 2112 S liq.
a1 2 CN str 2278  A 2277.6 gas 2258 S liq.
a1 3 CD3 s-deform 1110  B 1110 gas 1103 W liq.
a1 4 CC str 831  A 831.3 gas 834 W liq.
e 5 CD3 d-str 2257  A 2256.6 gas 2258 S liq.
e 6 CD3 d-deform 1046  A 1046.4 gas 1041 W liq.
e 7 CD3 rock 847  A 846.6 gas
e 8 CCN bend 331  B 331.2 gas 348 M liq.

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

Suess, Liu, et al., 2003
Suess, L.; Liu, Y.; Parthasarathy, R.; Dunning, F.B., Dipole-bound negative ions: Collisional destruction and blackbody-radiation-induced photodetachment, J. Chem. Phys., 2003, 119, 24, 12890-12894, https://doi.org/10.1063/1.1628215 . [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., The photoelectron spectra of some molecules containing the C N group, Proc. Roy. Soc. (London), 1970, A317, 187. [all data]

Franklin, Wada, et al., 1966
Franklin, J.L.; Wada, Y.; Natalis, P.; Hierl, P.M., Ion-molecule reactions in acetonitrile and propionitrile, J. Phys. Chem., 1966, 70, 2353. [all data]

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


Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References