Ammonia | SSHADE

Molecule

Name: Ammonia

Name and identifiers

IUPAC name: (15N,1H3)Ammonia
Secondary names: Azane, NH3, NH3-15
InChI: InChI=1S/H3N/h1H3/i1+1/hH3
InChI key: QGZKDVFQNNGYKY-HNQPUXNCSA-N
Comments: $^{15}NH_3$ isotope

Structure and atomic composition

Formula: $^{15}NH_3$
Chemical formula: NH3
Isotopic formula: [15]N[1]H3
Structural formula: [1H][15N]([1H])[1H]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^{15}N$	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: 18.02357 $g/mol$
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.	$^{15}NH_3$	$A_{1}'$	no	3333.0	3333.27			active	active	s	symmetric levels
V1	stretching sym.	$^{15}NH_3$	$A_{2}"$	no	3334.0	3334.25			active	active	s	antisymmetric levels
V2	bending sym.	$^{15}NH_3$	$A_{1}'$	no	928.0	928.47			active	active	vs	symmetric levels
V2	bending sym.	$^{15}NH_3$	$A_{2}"$	no	963.0	962.93			active	active	vs	antisymmetric levels
V3	stretching	$^{15}NH_3$	$E_{}'$	double	3435.0	3435.12	3435.45		active	active	s	observed split between symmetric and antisymmetric levels
V4	deformation	$^{15}NH_3$	$E$	double	1624.5	1623.16	1624.21		active	active	vs	observed split between symmetric and antisymmetric levels

Comments

Data from Huang et al. 2011

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$>^{15}N-^1H$	3