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Experimental data for CrH (Chromium hydride)

22 02 02 11 45
Other names
Chromium monohydride;
INChI INChIKey SMILES IUPAC name
InChI=1S/Cr.H [CrH]
State Conformation
6Σ C*V
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 1534 1581 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1595 30.49238 5.950823 2006Har/Bro:1143

vibrational zero-point energy: 767.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CrH (Chromium hydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  6.22000   webbook

Calculated rotational constants for CrH (Chromium hydride).
Product of moments of inertia moments of inertia
2.71023amu Å2   4.500508E-40gm cm2
Geometric Data
picture of Chromium hydride

Point Group C∞v


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
rHCr 1.655 0.001 1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
Cr1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.6550

Atom - Atom Distances bond lengths
Distances in Å
  Cr1 H2
Cr1   1.6550
H2 1.6550  

Calculated geometries for CrH (Chromium hydride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Cr 1
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 6   6Σ

Electron Affinity (eV)
Electron Affinity unc. reference
0.563 0.010 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
1 1 6Σ C∞v True           C∞v 1 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 CrH (Chromium hydride).
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 6Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for CrH (Chromium hydride).

References
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squib reference DOI
2006Har/Bro:1143 JJ Harrison, JM Brown, DT Halfen, LM Ziurys "Improved Frequencies of Rotational transitions of 52CrH in the 6SG+ Ground State" Astrophysical Journal 637:1143-1147, 2006 10.1086/498428
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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