Ammonia | SSHADE

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Molecule

Name: Ammonia

Name and identifiers

IUPAC name: (14N,1H3)Ammonia
Secondary names: Azane, NH3, NH3-14
InChI: InChI=1S/H3N/h1H3/i1+0/hH3
InChI key: QGZKDVFQNNGYKY-OGMQTYGCSA-N
Comments: $^{14}NH_3$ isotope

Structure and atomic composition

Formula: $^{14}NH_3$
Chemical formula: NH3
Isotopic formula: [14]N[1]H3
Structural formula: [1H][14N]([1H])[1H]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^{14}N$	Nitrogen	1
	$^1H$	Hydrogen	3

Relations

no

Isotopic composition

Isotope mixture type: pure isotope

Nuclear spin isomers

Spin type: equilibrated
Spin quantum numbers: 1/2, 3/2
Equilibrium meta/para ratio: 1 (1/1)

Molar mass: 17.02655 $g/mol$
State STP: gas
Protic: protic
Polarity: polar
Dipole: 1.4718 $D$

Fundamental vibration modes

Molecule symmetry

C3v

Case

symmetric-top

Vibrations number

4

Vibrations

Label	Mode	Bond	Symmetry	Degeneracy	Fundamental frequency	Observed frequency	Observed frequency	Harmonic frequency	Activity IR	Activity Raman	Strength	Comments
V1	stretching sym.	$^{14}NH_3$	$A_{1}$	no	3337.0	3336.2	3337.2	3505.7	active	active	s	observed split between symmetric and antisymmetric levels
V2	bending sym.	$^{14}NH_3$	$A_{1}$	no	950.0	935.5	968.3	1022.0	active	active	vs	observed split between symmetric and antisymmetric levels
V3	stretching	$^{14}NH_3$	$E$	double	3444.0	3443.6	3443.9	3573.1	active	active	s	observed split between symmetric and antisymmetric levels
V4	deformation	$^{14}NH_3$	$E$	double	1627.0	1626.1	1627.4	1689.7	active	active	vs	observed split between symmetric and antisymmetric levels

Comments

Data from NIST Chemistry WebBook and Benedict & Plyler (1957)

Publications

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

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$>^{14}N-^1H$	3