C3H3D3


Reaction thermochemistry 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: John E. Bartmess

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Individual Reactions

C3H2D3- + Hydrogen cation = C3H3D3

By formula: C3H2D3- + H+ = C3H3D3

Quantity Value Units Method Reference Comment
Δr1601. ± 17.kJ/molD-EAOakes and Ellison, 1983gas phase

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: John E. Bartmess

View reactions leading to C3H3D3+ (ion structure unspecified)

De-protonation reactions

C3H2D3- + Hydrogen cation = C3H3D3

By formula: C3H2D3- + H+ = C3H3D3

Quantity Value Units Method Reference Comment
Δr1601. ± 17.kJ/molD-EAOakes and Ellison, 1983gas phase

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:   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 CH3 s-str 2920  E 2941.0 M gas FR(2ν7)
a1 1 CH3 s-str 2920  E 2881.0 M gas FR(2ν7)
a1 2 CD str 2617  B 2616.8 S gas
a1 3 C≡C str 2060  C 2060.3 W gas
a1 4 CH3 s-deform 1378  E 1378 W gas OV7)
a1 5 C-C str 886  E CF
e 6 CH3 d-str 3009  B 3008.9 M gas
e 7 CH3 deform 1454  B 1453.5 M gas
e 8 CH3 rock 1051  B 1051.0 W gas
e 9 CD bend 498  B 497.5 S gas
e 10 CCC bend 314  B 314 M gas

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
B1~3 cm-1 uncertainty
C3~6 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.

Oakes and Ellison, 1983
Oakes, J.M.; Ellison, B.G., Photoelectron spectroscopy of the allenyl anion CH2=C=CH-, J. Am. Chem. Soc., 1983, 105, 2969. [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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