Ethane | SSHADE

Molecule

	Atom	Name	Number
	$C$	Carbon	2
	$H$	Hydrogen	6

Relations

Isotopic composition

Molecule symmetry

D3d

Case

nonlinear-polyatomic

Vibrations number

Vibrations

Label	Mode	Bond	Symmetry	Degeneracy	Fundamental frequency	Observed frequency	Activity IR	Activity Raman	Strength	Comments
V1	stretching sym.	$-C \leq H_3$	$A_{1}$	no	2954.0		inactive	active	ia	Raman: 2953.7 $cm^{-1}$
V2	bending sym.	$-C \leq H_3$	$A_{1}$	no	1388.0		inactive	active	ia	Raman: 1388.4 $cm^{-1}$
V3	stretching	$\geq C-C \leq$	$A_{1}$	no	995.0		inactive	active	ia	Raman: 994.8 $cm^{-1}$
V4	deformation	$C_2H_6$	$A_{1}$	no	289.0	289.0	active	inactive
V5	stretching sym.	$-C \leq H_3$	$A_{2}$	no	2896.0	2895.8	active	inactive
V6	bending sym.	$-C \leq H_3$	$A_{2}$	no	1379.0	1379.2	active	inactive
V7	stretching	$-C \leq H_3$	$E$	double	2969.0		inactive	active	ia	Raman: 2968.7 $cm^{-1}$ - intensity is 'vs' in "BaseMol database" 2002 (J. Crovisier)!
V8	deformation	$-C \leq H_3$	$E$	double	1468.0		inactive	active	ia	Raman: 1468.1 $cm^{-1}$
V9	bending asym. in-p (rocking)	$-C \leq H_3$	$E$	double	1190.0		inactive	active	ia	fundamental frequency determined from an overtone or combination
V10	stretching	$-C \leq H_3$	$E$	double	2985.0	2985.4	active	inactive		inactive (?) in "BaseMol database" 2002 (J. Crovisier)
V11	deformation	$-C \leq H_3$	$E$	double	1469.0	1469.0	active	inactive		Fermi resonance with $\nu_4+\nu_12$ - inactive (?) in "BaseMol database" 2002 (J. Crovisier)
V12	bending asym. in-p (rocking)	$-C \leq H_3$	$E$	double	822.0	821.6	active	inactive	s	intensity from "BaseMol database" 2002 (J. Crovisier)

Comments

Vibrations of the main isotope:

$^{12}C_2H_6$ . Data from NIST Chemistry WebBook

Publications

Chemical functions

	Function	Number
	$R-CH_3$	2

Chemical bonds

	Bond	Number
	$\geq C-H$	6
	$\geq C-C \leq$	1