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Acetone-D6

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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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Manganese ion (1+) + Acetone-D6 = (Manganese ion (1+) bullet Acetone-D6)

By formula: Mn+ + C3D6O = (Mn+ bullet C3D6O)

Quantity Value Units Method Reference Comment
Deltar34.4 ± 3.3kcal/molRAK,EJLin, Chen, et al., 1997 

Chromium ion (1+) + Acetone-D6 = (Chromium ion (1+) bullet Acetone-D6)

By formula: Cr+ + C3D6O = (Cr+ bullet C3D6O)

Quantity Value Units Method Reference Comment
Deltar37.3 ± 3.3kcal/molRAKLin, Chen, et al., 1997 

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 32587

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Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), 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:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CD3 d-str 2264  C 2263.5 S gas SF(«nu»13)
a1 2 CD3 s-str 2123  C 2123 W gas 2108.5 VS p liq. SF(«nu»14)
a1 3 CO str 1732  C 1732 VS gas 1700.5 S liq.
a1 4 CD3 s-deform 1080  C 1080 M gas 1088 M p liq.
a1 5 CD3 d-deform 1035  D 1035 M gas 1036 M liq.
a1 6 CD3 rock 887  C 887 W gas 889 M p liq.
a1 7 CC str 689  C 689 W gas 695.5 VS p liq.
a1 8 CCC deform 321  C 321 W gas 330 VW dp liq.
a2 9 CD3 d-str 2219  E  ia CF
a2 10 CD3 d-deform 1021  E  ia CF
a2 11 CD3 rock 669  E  ia CF
a2 12 Torsion 75  E  ia CF
b1 13 CD3 d-str 2264  C 2263.5 S gas 2256.5 S liq. SF(«nu»1)
b1 14 CD3 s-str 2123  C 2123 W gas SF(«nu»2)
b1 15 CC str 1242  C 1241.7 VS gas 1248.5 VW liq.
b1 16 CD3 s-deform 1035  D 1035 M gas 1036 M liq.
b1 17 CD3 d-deform 1004  C 1004 M gas 1006 sh liq.
b1 18 CD3 rock 724  D 724 W sln.
b1 19 CO ip-bend 475  C 475 S gas 478 W dp liq.
b2 20 CD3 d-str 2227  C 2226.5 S gas 2222 S liq.
b2 21 CD3 d-deform 1050  C 1050 S gas
b2 22 CD3 rock 960  C 960 M gas
b2 23 CO op-bend 405  C 405 W gas 410 VW dp liq.
b2 24 Torsion 79  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
shShoulder
pPolarized
dpDepolarized
CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), 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.

Lin, Chen, et al., 1997
Lin, C.-Y.; Chen, Q.; Chen, H.; Freiser, B.S., Bond Dissociation Energy Determinations for MOC(CH3)2+ and MOC(CD3)2+ (M=Cr, Mn) Using Continuous Ejection and Radiative Association Methods, Int. J. Mass Spectrom. Ion Proc., 1997, 167/168, 713, https://doi.org/10.1016/S0168-1176(97)00131-6 . [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, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References