C6D5O

Formula: C₆D₅O
Molecular weight: 98.1341
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Vibrational and/or electronic energy levels

State: C

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


T_o = 25240 ± 10	Ar	C-X	349	397	Pullin and Andrews, 1982
					Spanget-Larsen, Gil, et al., 2001

cm^-1	Med.	Method	References


1349 ± 20	Ar	AB	Pullin and Andrews, 1982
809 ± 20	Ar	AB	Pullin and Andrews, 1982

State: B

Energy (cm^-1)	Med.	References


T_o = 15973 ± 10	Ar	Radziszewski, Gil, et al., 2001

State: A

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


T_o = 7661	gas	A-X	1165	1306	Cheng, Witek, et al., 2008

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


a₂	12	772 ± 2	gas	CR	Cheng, Witek, et al., 2008
	13	626 ± 3	gas	CR	Cheng, Witek, et al., 2008
	14	365 ± 2	gas	CR	Cheng, Witek, et al., 2008
b₁	15	812 ± 7	gas	CR	Cheng, Witek, et al., 2008
	17	599 ± 2	gas	CR	Cheng, Witek, et al., 2008
	18	532 ± 2	gas	CR	Cheng, Witek, et al., 2008
	19	436 ± 5	gas	CR	Cheng, Witek, et al., 2008

State: X

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


a₁	1	CD stretch	2331	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	2	CD stretch	2298	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	3	CD stretch	2284	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	4	CC stretch	1509	s	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	5	CO stretch	1467	m s	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	6	Mixed	1244	w m	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	7	CCC bend	944	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	8	Mixed	902	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	9	CD bend	844	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	10	Mixed	724	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	11	CCC bend	505	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
b₁	15	DCCD torsion	860	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	16	Mixed	775	w m	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	17	Mixed	660	m	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	18	Mixed	489	s	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	19	Mixed	406	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
b₂	21	CD stretch	2326	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	22	CD stretch	2281	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	23	Mixed	1449	w m	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	24	Mixed	1334	w m	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	25	Mixed	1255	m	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	26	Mixed	1032	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	27	Mixed	836	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	28	Mixed	824	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001
	30	CO bend	423	w	Ar	IR	Spanget-Larsen, Gil, et al., 2001

Notes

Weak

Medium

Strong

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

References

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Pullin and Andrews, 1982
Pullin, D.; Andrews, L., The absorption spectra of the phenoxyl radical in solid argon, J. Mol. Struct., 1982, 95, 181, https://doi.org/10.1016/0022-2860(82)90143-0 . [all data]

Spanget-Larsen, Gil, et al., 2001
Spanget-Larsen, J.; Gil, M.; Gorski, A.; Blake, D.M.; Waluk, J.; Radziszewski, J.G., Vibrations of the Phenoxyl Radical, J. Am. Chem. Soc., 2001, 123, 45, 11253, https://doi.org/10.1021/ja0113596 . [all data]

Radziszewski, Gil, et al., 2001
Radziszewski, J.G.; Gil, M.; Gorski, A.; Spanget-Larsen, J.; Waluk, J.; Mroz, B.J., Electronic states of the phenoxyl radical, J. Chem. Phys., 2001, 115, 21, 9733, https://doi.org/10.1063/1.1415465 . [all data]

Cheng, Witek, et al., 2008
Cheng, C.-W.; Witek, H.; Lee, Y.-P., Rovibronic bands of the A [sup 2]B[sub 2]←X [sup 2]B[sub 1] transition of C[sub 6]H[sub 5]O and C[sub 6]D[sub 5]O detected with cavity ringdown absorption near 1.2 μm, J. Chem. Phys., 2008, 129, 15, 154307, https://doi.org/10.1063/1.2992077 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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