HOP

Formula: HOP
Molecular weight: 47.9811
IUPAC Standard InChI: InChI=1S/HOP/c1-2/h1H
IUPAC Standard InChIKey: DMGNFLJBACZMRM-UHFFFAOYSA-N
CAS Registry Number: 13817-06-6
Chemical structure:
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Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compiled by: John E. Bartmess

De-protonation reactions

OP^- + = HOP

By formula: OP^- + H⁺ = HOP

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	347.5 ± 9.6	kcal/mol	D-EA	Zittel and Lineberger, 1976	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	340.6 ± 9.7	kcal/mol	H-TS	Zittel and Lineberger, 1976	gas phase

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 19032.778 ± 0.007	gas	A-X	460	744	Lam Thanh My and Peyron, 1962
					Lam Thanh My and Peyron, 1963
					Lam Thanh My and Peyron, 1964
					Larzilliere, 1979
					Larzilliere, 1980
					Tackett and Clouthier, 2002

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


a'	1	PH stretch	1848.5	gas	LF	Tackett and Clouthier, 2002
	2	Bend	565.6	gas	EM LF	Larzilliere, 1979 Tackett and Clouthier, 2002
	3	PO stretch	857.7	gas	EM LF	Larzilliere, 1979 Tackett and Clouthier, 2002

State: X

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


a'	1	PH stretch	2059		gas	LF	Tackett and Clouthier, 2002
	1	PH stretch	2095	m s	Ar	IR	Larzilliere and Jacox, 1980
	2	Bend	985.54 ± 0.03		gas	EM LF	Lam Thanh My and Peyron, 1963 Larzilliere, 1980 Tackett and Clouthier, 2002
	2	Bend	998.0	w	Ar	IR	Withnall and Andrews, 1987
	3	PO stretch	1188.04 ± 0.03		gas	EM LF	Lam Thanh My and Peyron, 1963 Larzilliere, 1980 Tackett and Clouthier, 2002
	3	PO stretch	1188	s	Ar	IR	Larzilliere and Jacox, 1980

Additional references: Jacox, 1994, page 46; Saito, Endo, et al., 1986; Ozeki and Saito, 2003

Notes

Weak

Medium

Strong

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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

Zittel and Lineberger, 1976
Zittel, P.F.; Lineberger, W.C., Laser photoelectron spectrometry of PO-, PH-, and PH₂-, J. Chem. Phys., 1976, 65, 1236. [all data]

Lam Thanh My and Peyron, 1962
Lam Thanh My; Peyron, M., J. Chim. Phys., 1962, 59, 688. [all data]

Lam Thanh My and Peyron, 1963
Lam Thanh My; Peyron, M., J. Chim. Phys., 1963, 60, 1289. [all data]

Lam Thanh My and Peyron, 1964
Lam Thanh My; Peyron, M., J. Chim. Phys., 1964, 61, 1531. [all data]

Larzilliere, 1979
Larzilliere, M., N. Damany, 1979, and Lam Thanh My, Can J. Phys. 57, 539. [all data]

Larzilliere, 1980
Larzilliere, M., N. Damany, 1980, and Lam Thanh My, Chem. Phys. 46, 401. [all data]

Tackett and Clouthier, 2002
Tackett, B.S.; Clouthier, D.J., HPO does not follow Walsh's rules! Improved molecular structures from the spectroscopy of jet-cooled HPO and DPO, J. Chem. Phys., 2002, 117, 23, 10604, https://doi.org/10.1063/1.1521130 . [all data]

Larzilliere and Jacox, 1980
Larzilliere, M.; Jacox, M.E., Infrared and ultraviolet absorption spectra of PO and HPO isolated in an argon matrix, J. Mol. Spectrosc., 1980, 79, 1, 132, https://doi.org/10.1016/0022-2852(80)90298-2 . [all data]

Withnall and Andrews, 1987
Withnall, R.; Andrews, L., FTIR spectra of the photolysis products of the phosphine-ozone complex in solid argon, J. Phys. Chem., 1987, 91, 4, 784, https://doi.org/10.1021/j100288a008 . [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]

Saito, Endo, et al., 1986
Saito, S.; Endo, Y.; Hirota, E., The microwave spectrum of an unstable molecule, HPO, J. Chem. Phys., 1986, 84, 3, 1157, https://doi.org/10.1063/1.450505 . [all data]

Ozeki and Saito, 2003
Ozeki, H.; Saito, S., Microwave spectra of HPO and DPO: molecular structure, J. Mol. Spectrosc., 2003, 219, 2, 305, https://doi.org/10.1016/S0022-2852(03)00052-3 . [all data]

Notes

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

Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions