Nitrogen dioxide | SSHADE

Processing math: 94%

Molecule

Name: Nitrogen dioxide

Name and identifiers

IUPAC name: Nitrogen dioxide
Secondary names: Nitrogen oxide, Nitrogen(IV) oxide, NO2
InChI: InChI=1S/NO2/c2-1-3
InChI key: JCXJVPUVTGWSNB-UHFFFAOYSA-N
CAS number: 10102-44-0
Comments: natural $NO_2$

Structure and atomic composition

Formula: $\bullet NO_2$
Chemical formula: NO2
Structural formula: N(=O)[O] or [N+](=O)[O-]
Charge: 0
Unpaired electrons: 1

	Atom	Name	Number
	$N^+$	Nitrogen cation	1
	$O$	Oxygen	1
	$O^-$	Oxide anion	1

Relations

no

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: unique
Spin quantum numbers: 0

Molar mass: 46.0055 $g/mol$
State STP: liquid
Protic: aprotic
Polarity: polar
Dipole: 0.316 $D$

Fundamental vibration modes

Molecule symmetry

C2v

Case

nonlinear-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.	$\bullet NO_2$	$A_{1}$	no	1318.0	1318.0			active	active	w	1320 $cm^{-1}$ in VPL database
V2	bending	$\bullet NO_2$	$A_{1}$	no	750.0	749.65			active	active	s
V3	stretching asym.	$\bullet NO_2$	$B_{1}$	no	1618.0	1617.8			active	active	vs

Comments

Vibrations of the main isotope:

$^{14}N^{16}O_2$ . Data from NIST Chemistry WebBook

Publications

Shimanouchi, 1972, Natl. Bur. Stand., 39, 1 - 160

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$>N^{+}=O$	1
	$\eqslantgtr N^+-O^-$	1