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Experimental data for Na2 (Sodium diatomic)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/2Na/q;+1 YWCMJCGHOWDIIZ-UHFFFAOYSA-N [Na][Na+]
InChI=1/2Na/q;+1/rNa2/c1-2/q+1 YWCMJCGHOWDIIZ-TWAVBOHPNA-N [Na][Na+]
State Conformation
2Σg D*H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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 120 121 1989Bor/Lab:21      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
120.68 0.418 0.11295 0.00055 1989Bor/Lab:21

vibrational zero-point energy: 59.9 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for Na2 (Sodium diatomic).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.11295   1989Bor/Lab:21

Calculated rotational constants for Na2 (Sodium diatomic).
Product of moments of inertia moments of inertia
149.2486amu Å2   2.47837E-38gm cm2
Geometric Data
picture of Sodium diatomic

Point Group D∞h


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 Na2 (Sodium diatomic).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Na-Na 1

Connectivity
Atom 1 Atom 2
Na1 Na2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Σg
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
1 1 2Σg D∞h True           D∞h 0 1
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 Na2 (Sodium diatomic).
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
1 1 2Σg D∞h True       D∞h 0 1

Calculated electric quadrupole moments for Na2 (Sodium diatomic).

References
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squib reference DOI
1989Bor/Lab:21 C Bordas, P Labastie, J Chevaleyre, M Broyer "MQDT Analysis of Rovibrational Interactions and Auotionization in Na2 Rydberg States" Chem. Phys. 129 (1989) 21-39 10.1016/0301-0104(89)80016-3

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