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Experimental data for NH3NH3 (Ammonia Dimer)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/H6N2/c1-3-2/h1H2,2H3 AHBOEPYNTHNWIX-UHFFFAOYSA-N N.N
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 28.10   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 172.47   J K-1 mol-1 webbook
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity     kJ mol-1  
Heat Capacity (298.15K) heat capacity     J K-1 mol-1  
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 568   webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
567.9 1.97 0.18476 0.00082 webbook

Calculated vibrational frequencies for NH3NH3 (Ammonia Dimer).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.18476   webbook

Calculated rotational constants for NH3NH3 (Ammonia Dimer).
Product of moments of inertia moments of inertia
91.24069amu3Å6   4.17788574563599E-118gm3 cm6
Geometric Data
picture of Ammonia Dimer

Point Group Cs


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for NH3NH3 (Ammonia Dimer).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-N 6
H..N 1

Connectivity
Atom 1 Atom 2
H1 N2
H1 H3
N2 H4
N2 H5
H3 N6
H3 H7
H3 H8
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1  

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.100 0.020     webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for NH3NH3 (Ammonia Dimer).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole

Calculated electric quadrupole moments for NH3NH3 (Ammonia Dimer).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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