PhCH

Formula: C₇H₆
Molecular weight: 90.1225
CAS Registry Number: 3101-08-4
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Gas phase ion energetics data

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View reactions leading to C₇H₆⁺ (ion structure unspecified)

Electron affinity determinations

EA (eV)	Method	Reference	Comment
1.207 ± 0.030	CIDC	Seburg, Hill, et al., 1999

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


Ar	240	245	McMahon, Abelt, et al., 1987
			Matzinger and Bally, 2000

State: ?

Energy (cm^-1)	Med.	References


T_x = 33300	Ar	Matzinger and Bally, 2000

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


Ar	372	430	West, Chapman, et al., 1982
			McMahon, Abelt, et al., 1987
			Matzinger and Bally, 2000

State: X

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


a'	3	3073	m s	Ar	IR	West, Chapman, et al., 1982 McMahon, Abelt, et al., 1987 Matzinger and Bally, 2000
	5	3060	w m	Ar	IR	Matzinger and Bally, 2000
	6	3035	w m	Ar	IR	Matzinger and Bally, 2000
	7	1562	w	Ar	IR	Matzinger and Bally, 2000
	8	1538	w	Ar	IR	Matzinger and Bally, 2000
		1505 ± 5	m	Ar	IR	West, Chapman, et al., 1982
a'	9	1458	w m	Ar	IR	West, Chapman, et al., 1982 Matzinger and Bally, 2000
	10	1428	w m	Ar	IR	West, Chapman, et al., 1982 Matzinger and Bally, 2000
		1390 ± 5	m	Ar	IR	West, Chapman, et al., 1982
a'	11	1325	w	Ar	IR	Matzinger and Bally, 2000
	12	1290	w	Ar	IR	Matzinger and Bally, 2000
	13	1264	w	Ar	IR	Matzinger and Bally, 2000
		1210 ± 5	w m	Ar	IR	West, Chapman, et al., 1982
a'	14	1160	w	Ar	IR	Matzinger and Bally, 2000
	15	1149	w	Ar	IR	Matzinger and Bally, 2000
	16	1091	w	Ar	IR	Matzinger and Bally, 2000
	17	1017	w	Ar	IR	West, Chapman, et al., 1982 Matzinger and Bally, 2000
	18	976	w	Ar	IR	Matzinger and Bally, 2000
		945 ± 5	w m	Ar	IR	West, Chapman, et al., 1982
a'	19	840	w m	Ar	IR	Matzinger and Bally, 2000
	20	788	w m	Ar	IR	Matzinger and Bally, 2000
	21	612	w	Ar	IR	Matzinger and Bally, 2000
		550 ± 5	w m	Ar	IR	West, Chapman, et al., 1982
a'	22	525	w	Ar	IR	Matzinger and Bally, 2000
	23	343	w m	Ar	IR	Matzinger and Bally, 2000
a	26	884	w m	Ar	IR	West, Chapman, et al., 1982 Matzinger and Bally, 2000
	27	835	w	Ar	IR	Matzinger and Bally, 2000
	28	741	vs	Ar	IR	West, Chapman, et al., 1982 McMahon, Abelt, et al., 1987 Matzinger and Bally, 2000
	29	670	m	Ar	IR	West, Chapman, et al., 1982 McMahon, Abelt, et al., 1987 Matzinger and Bally, 2000
	30	497	w m	Ar	IR	Matzinger and Bally, 2000
	31	443	m s	Ar	IR	West, Chapman, et al., 1982 McMahon, Abelt, et al., 1987 Matzinger and Bally, 2000
	32	392	w	Ar	IR	Matzinger and Bally, 2000

Additional references: Jacox, 1994, page 391; Jacox, 2003, page 370

Notes

Weak

Medium

Strong

Very strong

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

References

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

Seburg, Hill, et al., 1999
Seburg, R.A.; Hill, B.T.; Squires, R.R., Synthesis, properties and reactivity of the phenylcarbene anion in the gas phase, J. Chem. Soc. Perkin Trans., 1999, 2, 11, 2249-2256, https://doi.org/10.1039/a905870b . [all data]

McMahon, Abelt, et al., 1987
McMahon, R.J.; Abelt, C.J.; Chapman, O.L.; Johnson, J.W.; Kreil, C.L.; LeRoux, J.-P.; Mooring, A.M.; West, P.R., 1,2,4,6-Cycloheptatetraene: the key intermediate in arylcarbene interconversions and related C7H6 rearrangements, J. Am. Chem. Soc., 1987, 109, 8, 2456, https://doi.org/10.1021/ja00242a034 . [all data]

Matzinger and Bally, 2000
Matzinger, S.; Bally, T., Spectroscopic Characterization of Matrix-Isolated Phenylcarbene and Cycloheptatetraene, J. Phys. Chem. A, 2000, 104, 16, 3544, https://doi.org/10.1021/jp993496j . [all data]

West, Chapman, et al., 1982
West, P.R.; Chapman, O.L.; LeRoux, J.-P., 1,2,4,6-Cycloheptatetraene, J. Am. Chem. Soc., 1982, 104, 6, 1779, https://doi.org/10.1021/ja00370a074 . [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]

Notes

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

Symbols used in this document:

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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