Carbon dioxide | SSHADE

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Molecule

Name: Carbon dioxide

Name and identifiers

IUPAC name: (12C,16O)Carbon dioxide
Secondary names: Carbonic anhydride, Carbonic acid anhydride, Carbon oxide, CO2
InChI: InChI=1S/CO2/c2-1-3/i1+0,2+0,3+0
InChI key: CURLTUGMZLYLDI-SXRZRGFPSA-N
Comments: $^{12}C^{16}O_2$ isotope

Structure and atomic composition

Formula: $^{12}C^{16}O_2$
Chemical formula: CO2
Isotopic formula: [12]C[16]O2
Structural formula: [16O]=[12C]=[16O]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^{12}C$	Carbon	1
	$^{16}O$	Oxygen	2

Relations

no

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: unique
Spin quantum numbers: 0

Molar mass: 43.989829 $g/mol$
State STP: gas
Protic: aprotic
Polarity: nonpolar
Dipole: 0.0 $D$

Fundamental vibration modes

Molecule symmetry

Dinfh

Case

linear-triatomic

Vibrations number

3

Vibrations

Label	Mode	Bond	Symmetry	Degeneracy	Fundamental frequency	Observed frequency	Observed frequency	Harmonic frequency	Activity IR	Activity Raman	Strength	Comments
V1	stretching sym.	$=^{12}C=^{16}O$	$\Sigma+$	no	1333.0			1353.6	inactive	active	ia	in Fermi resonance with $2\nu_2$ - Raman: 1285.40 and 1388.15 $cm^{-1}$
V2	bending	$CO_2$	$\Pi$	double	667.0	667.38		672.6	active	inactive	s
V3	stretching asym.	$=^{12}C=^{16}O$	$\Sigma+$	no	2349.0	2349.16		2396.3	active	inactive	vs

Comments

Data from NIST Chemistry WebBook and Jobard & Chedin (1975)

Publications

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$=^{12}C=^{16}O$	2