C6H5NH2+

Formula: C₆H₇N⁺
Molecular weight: 93.1259
CAS Registry Number: 34475-46-2
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Vibrational and/or electronic energy levels

State: A

Energy (cm^-1)	Med.	References


T_o = 10570 ± 80	gas	Kim and Weber, 1995

Vib. sym.	No.	cm^-1	Med.	Method	References


a₁	1	840 ± 40	gas	PE	Kim and Weber, 1995
	6a	524 ± 10	gas	PE	Kim and Weber, 1995

State: X

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


			1635		Ar	IR	Gee, 2001
a₁	8a		1594		gas	TPE	Meek, Sekreta, et al., 1985 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993
			1515		Ar	IR	Gee, 2001
			1483		Ar	IR	Gee, 2001
a₁	19a		1436 ± 10	T	gas	PE	Meek, Sekreta, et al., 1985
	13		1385		gas	TPE	Meek, Sekreta, et al., 1985 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993
	9a		1188		gas	TPE PI	Meek, Sekreta, et al., 1985 Takahashi, Ozeki, et al., 1992 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
	18a		996		gas	TPE TPI	Zhang, Smith, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
	12	Ring s-stretch	982		gas	PI TPE	Smith, Hager, et al., 1984 Meek, Sekreta, et al., 1985 Takahashi, Ozeki, et al., 1992 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
	1		814		gas	PI TPE	Smith, Hager, et al., 1984 Meek, Sekreta, et al., 1985 Takahashi, Ozeki, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
	6a	N-ring s-str.	522		gas	PI TPE	Smith, Hager, et al., 1984 Meek, Sekreta, et al., 1985 Hager, Smith, et al., 1986 Takahashi, Ozeki, et al., 1992 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
a₂		C-N torsion	577	H	gas	TPE	Song, Yang, et al., 1993
	16a		356		gas	PI TPE	Meek, Sekreta, et al., 1985 Hager, Smith, et al., 1986 Takahashi, Ozeki, et al., 1992 Zhang, Smith, et al., 1992
b₁	17b		963	T	gas	TPE	Song, Yang, et al., 1993
	11		790	T	gas	TPE	Song, Yang, et al., 1993
	11		785		Ar	IR	Gee, 2001
		Inversion	658		gas	PI TPE	Meek, Sekreta, et al., 1985 Hager, Smith, et al., 1986 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
		Inversion	656 ± 2		Ar	IR	Gee, 2001
	16b		629		gas	TPE	Song, Yang, et al., 1993
	4	Ring deform.	445		gas	TPE TPI	Song, Yang, et al., 1993 Lin and Tzeng, 2001
	10b		179		gas	PI TPE	Hager, Smith, et al., 1986 Zhang, Smith, et al., 1992 Song, Yang, et al., 1993 Lin and Tzeng, 2001
b₂	6b		582		gas	TPE	Song, Yang, et al., 1993
	15		550	H	gas	TPE	Zhang, Smith, et al., 1992 Song, Yang, et al., 1993

Additional references: Jacox, 1994, page 443; Jacox, 1998, page 372; Jacox, 2003, page 406

Notes

(1/2)(2ν)

Tentative assignment or approximate value

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

References

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Kim and Weber, 1995
Kim, B.; Weber, P.M., Two-Color Laser Photoelectron Spectroscopy of Electronically Excited Cations: Vibrationally Resolved Spectrum of the 2A2 State of Aniline+, J. Phys. Chem., 1995, 99, 9, 2583, https://doi.org/10.1021/j100009a016 . [all data]

Gee, 2001
Gee, Ch., S. Douin, 2001, C. Crepin, and Ph. Brechignac, Chem. Phys. Lett. 338, 130. [all data]

Meek, Sekreta, et al., 1985
Meek, J.T.; Sekreta, E.; Wilson, W.; Viswanathan, K.S.; Reilly, J.P., The laser photoelectron spectrum of gas phase aniline, J. Chem. Phys., 1985, 82, 1741. [all data]

Zhang, Smith, et al., 1992
Zhang, X.; Smith, J.M.; Knee, J.L., High resolution threshold photoelectron spectroscopy of aniline and aniline van der Waals complexes, J. Chem. Phys., 1992, 97, 5, 2843, https://doi.org/10.1063/1.463027 . [all data]

Song, Yang, et al., 1993
Song, X.; Yang, M.; Davidson, E.R.; Reilly, J.P., Zero kinetic energy photoelectron spectra of jet-cooled aniline, J. Chem. Phys., 1993, 99, 5, 3224, https://doi.org/10.1063/1.465131 . [all data]

Takahashi, Ozeki, et al., 1992
Takahashi, M.; Ozeki, H.; Kimura, K., Vibrational spectra of aniline--Arn van der Waals cations (n=1 and 2) observed by two-color ''threshold photoelectron'' [zero kinetic energy (ZEKE)-photoelectron] spectroscopy, J. Chem. Phys., 1992, 96, 9, 6399, https://doi.org/10.1063/1.462634 . [all data]

Lin and Tzeng, 2001
Lin, J.L.; Tzeng, W.B., Mass analyzed threshold ionization of deuterium substituted isotopomers of aniline and p-fluoroaniline: Isotope effect and site-specific electronic transition, J. Chem. Phys., 2001, 115, 2, 743, https://doi.org/10.1063/1.1379586 . [all data]

Smith, Hager, et al., 1984
Smith, M.A.; Hager, J.W.; Wallace, S.C., Two color photoionization spectroscopy of jet cooled aniline: Vibrational frequencies of the aniline X2B1 radical cation, J. Chem. Phys., 1984, 80, 3097. [all data]

Hager, Smith, et al., 1986
Hager, J.; Smith, M.A.; Wallace, S.C., Two-color threshold photoionization of jet-cooled aniline: Vibrationally selective autoionization, J. Chem. Phys., 1986, 84, 12, 6771, https://doi.org/10.1063/1.450680 . [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

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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