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Experimental data for AlP (Aluminum monophosphide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Al.P PPNXXZIBFHTHDM-UHFFFAOYSA-N [Al]#P
State Conformation
3Σ 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 379   2002Gom/Tay:8644      

vibrational zero-point energy: 189.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for AlP (Aluminum monophosphide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for AlP (Aluminum monophosphide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Aluminum monophosphide

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
rAlP 2.400   1 2 2002Gom/Tay:8644

Cartesians
Atom x (Å) y (Å) z (Å)
Al1 0.0000 0.0000 0.0000
P2 0.0000 0.0000 2.4000

Atom - Atom Distances bond lengths
Distances in Å
  Al1 P2
Al1   2.4000
P2 2.4000  

Calculated geometries for AlP (Aluminum monophosphide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Al1 P2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3 2002Gom/Tay:8644 3Σ
871 6 2002Gom/Tay:8644 3Π
4162 2 2002Gom/Tay:8644 1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
8.400 0.400     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
2.043 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 3Σ C∞v True           C∞v 1 1
2 1 3Π C∞v True           C∞v 1 1
3 1 1Σ 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 AlP (Aluminum monophosphide).
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 3Σ C∞v True       C∞v 1 1
2 1 3Π C∞v True       C∞v 1 1
3 1 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for AlP (Aluminum monophosphide).

References
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squib reference DOI
2002Gom/Tay:8644 H Gomez, TR Taylor, Y Zhao, DM Neumark "Spetroscopy of the low-lying states of the group III-V diatomics, AlP, GaP, InP and GaAs via anion photodetachment spectroscopy" J. Chem. Phys. 117 (19) 8644, 2002 10.1063/1.1514050
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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