Octasulfur | SSHADE

Molecule

IUPAC name: Octasulfur
Secondary names: Octasulphur, Cyclo-octasulfur, Cyclo-octasulphur, Octasulfur, Octathiocane, sulfur molecule, sulphur molecule, Sulfur octamer, Cyclic octaatomic sulfur, S8
InChI: InChI=1S/S8/c1-2-4-6-8-7-5-3-1
InChI key: JLQNHALFVCURHW-UHFFFAOYSA-N
CAS number: 10544-50-0
Comments: natural $S_8$

	Atom	Name	Number
	$S$	Sulfur	8

Relations

Isotopic composition

Molecule symmetry

D4d

Case

nonlinear-polyatomic

Vibrations number

Vibrations

Label	Mode	Bond	Symmetry	Degeneracy	Fundamental frequency	Observed frequency	Activity IR	Activity Raman	Strength	Comments
V1	stretching sym.	$-S-S-$	$A_{1}$	no	475.0		inactive	active	ia	Raman: 475 $cm^{-1}$ (solution, s) - with $\nu_7$
V2	bending	$-S-S-S-$	$A_{1}$	no	218.0		inactive	active	ia	Raman: 218 $cm^{-1}$ (solution, s)
V3	stretching asym.	$-S-S-$	$B_{1}$	no	411.0		inactive	inactive	ia
V4	bending in-p	$-S-S-S-$	$B_{2}$	no	243.0	243.0	active	inactive	s	in solution
V5	stretching	$-S-S-S-S-S-S-S-S-$ ring	$E_{1}$	double	471.0	471.0	active	inactive	m	in solution
V6	deformation	$-S-S-S-S-S-S-S-S-$ ring	$E_{1}$	double	191.0	191.0	active	inactive	s	in solution
V7	stretching asym.	$-S-S-$	$E_{2}$	double	475.0		inactive	active	ia	Raman: 475 $cm^{-1}$ (solution, s) - with $\nu_1$
V8	deformation	$-S-S-S-$	$E_{2}$	double	152.0		inactive	active		Raman: 152 $cm^{-1}$ (solution, s)
V9	bending asym. out-p (twisting)	$-S-S-S-S-S-S-S-S-$ ring	$E_{2}$	double	56.0		inactive	active		Raman: 86 $cm^{-1}$ (solution) - fundamental frequency from theory
V10	stretching	$-S-S-S-S-S-S-S-S-$ ring	$E_{3}$	double	437.0		inactive	active		Raman: 437 $cm^{-1}$ (solution, s)
V11	deformation	$-S-S-S-S-S-S-S-S-$ ring	$E_{3}$	double	248.0		inactive	active		Raman: 437 $cm^{-1}$ (solution, s)

Comments

some modes to be confirmed! - Vibrations of the main isotope:

$^{32}S_8$ . Data from Scott and McCullough (1964)

Publications

Chemical bonds

	Bond	Number
	$-S-S-$	8