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Experimental data for SiP (Silicon monophosphide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/PSi/c1-2 FLRSUSDJUOANNM-UHFFFAOYSA-N [Si]#P
State Conformation
2Π 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 611 616 2002Jak/Nak:6513      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
615.7 2.34 2002Jak/Nak:6513

vibrational zero-point energy: 305.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiP (Silicon monophosphide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.26440   2002Jak/Nak:6513 B0

Calculated rotational constants for SiP (Silicon monophosphide).
Product of moments of inertia moments of inertia
63.75806amu Å2   1.058744E-38gm cm2
Geometric Data
picture of Silicon 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
rSiP 2.078 0.002 1 2 2002Jak/Nak:6513 re

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
P2 0.0000 0.0000 2.0775

Atom - Atom Distances bond lengths
Distances in Å
  Si1 P2
Si1   2.0775
P2 2.0775  

Calculated geometries for SiP (Silicon monophosphide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Si1 P2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
427.4 2 2002Jak/Nak:6513
21317.1 2 2002Jak/Nak:6513

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.100 0.500     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 2Π 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 SiP (Silicon 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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for SiP (Silicon monophosphide).

References
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squib reference DOI
2002Jak/Nak:6513 ZJ Jakubek, SG Nakhate, B Simard "The SiP molecule: The first observation and spectroscopic characterization" J. Chem. Phys. 116(15), 6513, 2002 10.1063/1.1462582
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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