Phosphorus monochloride monoxide

Formula: ClOP
Molecular weight: 82.426
CAS Registry Number: 21295-50-1
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to ClOP⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
11.5	EI	Binnewies, 1983	LBLHLM
11.7	PE	Binnewies, Solouki, et al., 1984	Vertical value; LBLHLM
11.7	PE	Binnewies, Solouki, et al., 1984	Vertical value; LBLHLM
11.85	PE	Berkosky, Ellison, et al., 1973	Vertical value; LLK

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a'	1	PO stretch	1263.01		gas	IR DL	Allaf and Boustani, 1998 Bell, Hamilton, et al., 1998 Bell, Hamilton, et al., 2000
	1	PO stretch	1258	vs	Ar	IR	Binnewies, Lakenbrink, et al., 1983 Binnewies, Schnockel, et al., 1986 Schnockel and Schunck, 1987
	2	Bend	308	w m	Ar	IR	Binnewies, Lakenbrink, et al., 1983
	3	PCl stretch	492	T	gas	IR	Allaf and Boustani, 1998
	3	PCl stretch	489	vs	Ar	IR	Binnewies, Lakenbrink, et al., 1983 Binnewies, Schnockel, et al., 1986 Schnockel and Schunck, 1987

Additional references: Jacox, 1994, page 103; Jacox, 2003, page 142; Moores and Andrews, 1989; Brupbacher-Gatehouse and Brupbacher, 1999

Notes

Weak

Medium

Very strong

Tentative assignment or approximate value

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Binnewies, 1983
Binnewies, M., Bildung und stabilitat von gasformigem AsOCl und SbOCl massenspektrometrische untersuchungen, Z. Anorg. Allg. Chem., 1983, 505, 32. [all data]

Binnewies, Solouki, et al., 1984
Binnewies, M.; Solouki, B.; Bock, H.; Becherer, R.; Ahlrichs, R., O=P-Cl und S=P-Cl: Ionisation in der Gasphase, Angew. Chem., 1984, 96, 704. [all data]

Berkosky, Ellison, et al., 1973
Berkosky, J.L.; Ellison, F.O.; Lee, T.H.; Rabalais, J.W., Model for calculating spin-orbit interactions with applications to photoelectron spectroscopy, J. Chem. Phys., 1973, 59, 5342. [all data]

Allaf and Boustani, 1998
Allaf, A.W.; Boustani, I., Gas-phase infrared spectra of phosphorus (III) oxyhalide: Experimental and theoretical study of OPF and OPCl, Vib. Spectrosc., 1998, 16, 1, 69, https://doi.org/10.1016/S0924-2031(97)00047-7 . [all data]

Bell, Hamilton, et al., 1998
Bell, I.S.; Hamilton, P.A.; Davies, P.B., Infrared Laser Spectrum and Structure of Phosphoryl Chloride (ClPO) Formed at Ambient Temperature in the Gas Phase, J. Phys. Chem. A, 1998, 102, 45, 8836, https://doi.org/10.1021/jp983124v . [all data]

Bell, Hamilton, et al., 2000
Bell, I.S.; Hamilton, P.A.; Davies, P.B., The Diode--Laser Spectrum of Phosphoryl Chloride (ClPO), J. Mol. Spectrosc., 2000, 200, 2, 287, https://doi.org/10.1006/jmsp.2000.8058 . [all data]

Binnewies, Lakenbrink, et al., 1983
Binnewies, M.; Lakenbrink, M.; Schnockel, H., Z. Anorg. Allg. Chem., 1983, 497, 7. [all data]

Binnewies, Schnockel, et al., 1986
Binnewies, M.; Schnockel, H.; Gereke, R.; Schmutzler, R., «65533»ber die Bildung von Phosphor(III)-oxychlorid, POCl, durch Pyrolyse von Allyldichlorphosphit. Massenspektroskopische und Matrix-Infrarot-Untersuchungen, Z. Anorg. Allg. Chem., 1986, 534, 3, 143, https://doi.org/10.1002/zaac.19865340318 . [all data]

Schnockel and Schunck, 1987
Schnockel, H.; Schunck, S., Hochtemperaturhydrolyse von PCl3 und PBr3: IR-spektroskopischer Nachweis der matrixisolierten Molek«65533»le OPCl und OPBr, Z. Anorg. Allg. Chem., 1987, 548, 5, 161, https://doi.org/10.1002/zaac.19875480518 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Moores and Andrews, 1989
Moores, B.W.; Andrews, L., Oxidation of phosphorus(III) halides by red photolysis of ozone complexes in solid argon, J. Phys. Chem., 1989, 93, 5, 1902, https://doi.org/10.1021/j100342a041 . [all data]

Brupbacher-Gatehouse and Brupbacher, 1999
Brupbacher-Gatehouse, B.; Brupbacher, T., The molecular geometry, harmonic force field, bonding characteristics, and nuclear shielding parameters of OPCl, as determined from high resolution microwave spectra, J. Chem. Phys., 1999, 111, 14, 6300, https://doi.org/10.1063/1.479934 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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