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II.A.1. (XV.A.)

Listing of experimental data for PCl (phosphorus chloride)

Other names
Phosphorus chloride;
InChI=1/ClP/c1-2 [P]Cl
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
Hfg(298.15K) enthalpy of formation 134.62 40.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 135.28 40.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 236.88   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.29   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 33.99   J K-1 mol-1 Gurvich
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 577 VEEL5      

vibrational zero-point energy: 288.5 cm-1
Calculated vibrational frequencies for PCl (phosphorus chloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.25212   1985Min/Sai:4939

Calculated rotational constants for PCl (phosphorus chloride).

Product of moments of inertia moments of inertia
66.86371amu Å2   1.110315E-38gm cm2

Geometric Data
picture of phosphorus chloride

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
rPCl 2.018   1 2 1985Min/Sai:4939 from B0

Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.0176

Atom - Atom Distances bond lengths
Distances in Å
  P1 Cl2
P1   2.0176
Cl2 2.0176  

Calculated geometries for PCl (phosphorus chloride).

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

Atom 1 Atom 2
P1 Cl2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3 1979HUB/HER 3Σ
6500 2 Gurvich 1Σ
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for PCl (phosphorus chloride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for PCl (phosphorus chloride).

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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979  
1985Min/Sai:4939 Minowa, T.; Saito, S.; Hirota, E. "The microwave spectrum of the PCl radical." Journal of Chemical Physics. 83, 4939-4944 (1985) 10.1063/1.449754
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
VEEL5 M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook -  

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