Ammonia | SSHADE

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Molecule

Name: Ammonia

Name and identifiers

IUPAC name: (14N,2H3)Ammonia
Secondary names: Azane, NH3, NH3-14-d3, NH3-d3
InChI: InChI=1S/H3N/h1H3/i1+0/hD3
InChI key: QGZKDVFQNNGYKY-KTUOKZJPSA-N
Comments: $^{14}ND_3$ isotope

Structure and atomic composition

Formula: $^{14}ND_3$
Chemical formula: NH3
Isotopic formula: [14]ND3
Structural formula: [2H][14N]([2H])[2H]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^{14}N$	Nitrogen	1
	$^2H$ or $D$	Hydrogen	3

Relations

no

Isotopic composition

Isotope mixture type: pure isotope

Nuclear spin isomers

Spin type: unique

Molar mass: 20.045374 $g/mol$
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.	$^{14}ND_3$	$A_{1}$	no	2420.0	2420.1	2420.6		active	active	s	Fermi resonance with $2\nu_4$ - observed split between symmetric and antisymmetric levels
V2	bending sym.	$^{14}ND_3$	$A_{1}$	no	748.0	745.7	749.4		active	active	vs	observed split between symmetric and antisymmetric levels
V3	stretching	$^{14}ND_3$	$E$	double	2564.0	2564.0			active	active	s
V4	deformation	$^{14}ND_3$	$E$	double	1191.0	1191.0			active	active	vs

Comments

Data from NIST Chemistry WebBook

Publications

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

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$>^{14}N-D$	3