Hydrogen | SSHADE

Molecule

Name: Hydrogen

Name and identifiers

IUPAC name: (1H1,2H1)Dihydrogen
Secondary names: Dihydrogen, molecular hydrogen, HD
InChI: InChI=1S/H2/h1H/i1+1H
InChI key: UFHFLCQGNIYNRP-YPBGMLPISA-N
CAS number: 13983-20-5
Comments: $HD$ isotope

Structure and atomic composition

Formula: $HD$
Chemical formula: H2
Isotopic formula: [1]HD
Structural formula: [1H][2H]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^1H$	Hydrogen	1
	$^2H$ or $D$	Hydrogen	1

Relations

no

Isotopic composition

Isotope mixture type: pure isotope

Nuclear spin isomers

Spin type: equilibrated
Spin quantum numbers: 0, 1

Molar mass: 3.021927 $g/mol$
State STP: gas
Protic: protic
Polarity: nonpolar
Dipole: 0.0 $D$

Fundamental vibration modes

Molecule symmetry

Dinfh

Case

diatomic

Vibrations number

1

Vibrations

Label	Mode	Bond	Symmetry	Degeneracy	Fundamental frequency	Observed frequency	Observed frequency	Harmonic frequency	Activity IR	Activity Raman	Strength	Comments
V1	stretching	$1^H-D$	$A_{1}$	no					inactive	active	ia	intensity is vvw

Comments

Data from VPL database and NIST Chemistry WebBook

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$1^H-D$	1