BrNO2

Formula: BrNO₂
Molecular weight: 125.909
CAS Registry Number: 13536-70-4
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Vibrational and/or electronic energy levels

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State: ?

Energy (cm^-1)	Med.	References


T_x = 50250	gas	Scheffler, Grothe, et al., 1997

State: ?

Energy (cm^-1)	Med.	References


T_x = 40490	gas	Scheffler, Grothe, et al., 1997

State: ?

Energy (cm^-1)	Med.	References


T_x = 26880	gas	Scheffler, Grothe, et al., 1997

State: X

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


a₁	1	NO₂ s-stretch	1294.40		gas	IR	Finlayson-Pitts, Livingston, et al., 1989 Frenzel, Scheer, et al., 1996 Scheffler, Grothe, et al., 1997 Orphal, 2000
	1	NO₂ s-stretch	1291.0	vs	Ar	IR	Feuerhahn, Minkwitz, et al., 1979 Tevault, 1979 Scheffler, Grothe, et al., 1997 Scheffler and Willner, 1998
	1	NO₂ s-stretch	1291		O₂	IR	Frenzel, Scheer, et al., 1996
	2	NO₂ deform.	787.16		gas	IR	Finlayson-Pitts, Livingston, et al., 1989 Frenzel, Scheer, et al., 1996 Scheffler, Grothe, et al., 1997 Tchana, Orphal, et al., 2002
	2	NO₂ deform.	782.7	s	Ar	IR	Tevault, 1979 Scheffler, Grothe, et al., 1997 Scheffler and Willner, 1998
	2	NO₂ deform.	784		O₂	IR	Frenzel, Scheer, et al., 1996
	3	NBr stretch	281.8	w	Ar	IR	Scheffler, Grothe, et al., 1997 Scheffler and Willner, 1998
	3	NBr stretch	280.7	w	Ar	IR	Scheffler, Grothe, et al., 1997 Scheffler and Willner, 1998
b₁	4	OPLA	605		gas	IR	Scheffler, Grothe, et al., 1997
	4	OPLA	605.7		Ar	IR	Scheffler, Grothe, et al., 1997 Scheffler and Willner, 1998
b₂	5	NO₂ a-stretch	1666.98		gas	IR	Finlayson-Pitts, Livingston, et al., 1989 Frenzel, Scheer, et al., 1996 Scheffler, Grothe, et al., 1997 Orphal, Frenzel, et al., 1998
	5	NO₂ a-stretch	1659.6	vs	Ar	IR	Tevault, 1979 Scheffler, Grothe, et al., 1997 Scheffler and Willner, 1998
	5	NO₂ a-stretch	1655		O₂	IR	Frenzel, Scheer, et al., 1996
	6	NO₂ wag	290	T s	Ar	IR	Scheffler, Grothe, et al., 1997

Additional references: Jacox, 1994, page 213; Jacox, 1998, page 260; Jacox, 2003, page 239

Notes

Weak

Strong

Very strong

Tentative assignment or approximate value

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

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Scheffler, Grothe, et al., 1997
Scheffler, D.; Grothe, H.; Willner, H.; Frenzel, A.; Zetsch, C., Properties of Pure Nitryl Bromide. Thermal Behavior, UV/Vis and FTIR Spectra, and Photoisomerization to, Inorg. Chem., 1997, 36, 3, 335, https://doi.org/10.1021/ic9606946 . [all data]

Finlayson-Pitts, Livingston, et al., 1989
Finlayson-Pitts, B.J.; Livingston, F.E.; Berko, H.N., Synthesis and identification by infrared spectroscopy of gaseous nitryl bromide, BrNO2, J. Phys. Chem., 1989, 93, 11, 4397, https://doi.org/10.1021/j100348a005 . [all data]

Frenzel, Scheer, et al., 1996
Frenzel, A.; Scheer, V.; Behnke, W.; Zetsch, C., Synthesis and Mid-IR Absorption Cross Sections of BrNO, J. Phys. Chem., 1996, 100, 41, 16447, https://doi.org/10.1021/jp960319z . [all data]

Orphal, 2000
Orphal, J., The ν1 bands of 79BrNO2 and 81BrNO2, J. Mol. Struct., 2000, 517/518, 181, https://doi.org/10.1016/S0022-2860(99)00249-5 . [all data]

Feuerhahn, Minkwitz, et al., 1979
Feuerhahn, M.; Minkwitz, R.; Engelhardt, U., On the formation of nitryl bromide and nitryl iodide and the infrared spectra of the matrix isolated molecules, J. Mol. Spectrosc., 1979, 77, 3, 429, https://doi.org/10.1016/0022-2852(79)90182-6 . [all data]

Tevault, 1979
Tevault, D.E., Matrix reactions of bromine atoms and nitrogen dioxide molecules, J. Phys. Chem., 1979, 83, 17, 2217, https://doi.org/10.1021/j100480a007 . [all data]

Scheffler and Willner, 1998
Scheffler, D.; Willner, H., The Synthesis of, Inorg. Chem., 1998, 37, 18, 4500, https://doi.org/10.1021/ic9803006 . [all data]

Tchana, Orphal, et al., 2002
Tchana, F.K.; Orphal, J.; Kleiner, I.; Redlich, B.; Scheffler, D.; Mbiake, R.; Bouba, O., The ν2 Bands of BrNO2 around 787 cm-1 (12.7 μm), J. Mol. Spectrosc., 2002, 216, 2, 292, https://doi.org/10.1006/jmsp.2002.8611 . [all data]

Orphal, Frenzel, et al., 1998
Orphal, J.; Frenzel, A.; Grothe, H.; Redlich, B.; Scheffler, D.; Willner, H.; Zetzsch, C., High-Resolution Infrared Fourier-Transform Spectroscopy and Rotational Constants of the ν4Band of BrNO2, J. Mol. Spectrosc., 1998, 191, 1, 88, https://doi.org/10.1006/jmsp.1998.7641 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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