The absolute intensities of the infra-red fundamentals of methane

1960 ◽  
Vol 16 (7) ◽  
pp. 840-852 ◽  
Author(s):  
K.L. Armstrong ◽  
H.L. Welsh

The absolute intensities of the infra-red active fundamental vibrations of benzene, mono-deuterobenzene, and para -dideuterobenzene have been measured and interpreted in terms of the dipole moment derivatives: ∂ μ z /∂ S 11 = -1·43 D/Å; ∂ μ y /∂ S 18 a = - 0·51 D/Å; ∂ μ y /∂ S 19 a = -0·32 D/Å; ∂ μ y /∂ S 20 a = -0·78 D/Å. All three spectra are consistent with these values. The ‘effective’ C—H bond moment for in-plane bending is 0·31 D and for out-of-plane bending 0·61 D. The value for the C—H bond-stretching dipole-moment derivative is 0·45 D/Å with the H atom becoming less positive as the bond stretches. In-plane distortions of the carbon skeleton which leave the C—H bond directions unchanged, produce zero dipole moment within the experimental error.


The absolute intensities of all except one of the infra-red fundamental vibration bands of dimethyl acetylene have been determined, and the results have been used to compute polar properties of the C—H and C—C bonds. It has been found that if the very probable assump­tion is made that the acetylenic carbon atoms carry a residual negative charge, the hydrogen atoms in the C—H bonds must carry a residual positive charge. The probable value of the C—H dipole is about 0-4 Debye, and that of the C—C≡ bond about 1 Debye. Comparisons have been made with the results of similar work with related molecules.


2002 ◽  
Vol 366 (3-4) ◽  
pp. 383-389 ◽  
Author(s):  
S DeMille ◽  
R.H deLaat ◽  
R.M Tanner ◽  
R.L Brooks ◽  
N.P.C Westwood

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