Malononitrile-d2

Vibrational and/or electronic energy levels

Go To: Top, 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:   C2ν     Symmetry Number σ = 2
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a1 1 CD2 s-str 2146  C 2146 S liq. 2146 solid solid
a1 2 CN s-str 2272  C 2272 M liq. 2273 solid solid SF(ν9)
a1 3 CD2 scis 1037  C 1037 S liq. 1033 solid solid
a1 4 CC s-str 858  C 858 M liq. 854 solid solid
a1 5 CCC deform 577  C 577 M liq. 581 solid solid
a1 6 CCN bend 163  C 163 solid solid
a2 7 CD2 twist 892  C 892 ia VW liq. 892 solid solid
a2 8 CCN bend 356  C  ia 356 solid solid SF(ν12)
b1 9 CN a-str 2272  C 2272 M liq. 2273 solid solid SF(ν2)
b1 10 CD2 wag 1153  C 1165 M liq. 1162 solid solid FR(ν12+ν14)
b1 10 CD2 wag 1153  C 1142 M liq. 1130 solid solid FR(ν12+ν14)
b1 11 CC a-str 829  C 829 M liq. 828 solid solid
b1 12 CCN bend 356  C 356 S liq. 356 solid solid SF(ν8)
b2 13 CD2 a-str 2230  C 2230 S liq. 2228 solid solid
b2 14 CD2 rock 795  C 795 W liq.
b2 15 CCN bend 302  C 302 solid solid

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
iaInactive
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
C3~6 cm-1 uncertainty

References

Go To: Top, 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.

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, Vibrational and/or electronic energy levels, References