cyc-B3

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 21848.77 gas Zhai, Wang, et al., 2003
Cias, Araki, et al., 2004
Chacaga, Jochnowitz, et al., 2009
To = 21828 ± 10 Ne C-X 420 458 Wyss, Riaplov, et al., 2003
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1' 1 Sym. stretch 1100 ± 80 gas PE Zhai, Wang, et al., 2003
1 Sym. stretch 981 ± 10 Ne AB Wyss, Riaplov, et al., 2003

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 13960 ± 360 gas Zhai, Wang, et al., 2003
To = 12902 T Ne B-X 650 736 Wyss, Riaplov, et al., 2003

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 5970 ± 290 gas Zhai, Wang, et al., 2003
Tp = 5990 Ne A-X 1224 1670 Batalov, Fulara, et al., 2005
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1' 1 Sym. stretch 1130 ± 40 gas PE Zhai, Wang, et al., 2003
1 Sym. stretch 1092 ± 3 Ne AB Batalov, Fulara, et al., 2005

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1' 1 Sym. stretch 1020 ± 50 gas PE Zhai, Wang, et al., 2003
e' 2 886.2 Ar IR Li, Van Zee, et al., 1996

Additional references: Jacox, 1998, page 162; Hamrick, Van Zee, et al., 1992

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
pPolarized

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Zhai, Wang, et al., 2003
Zhai, H.-J.; Wang, L.-S.; Alexandrova, A.N.; Boldyrev, A.I.; Zakrzewski, V.G., Photoelectron Spectroscopy and ab Initio Study of B, J. Phys. Chem. A, 2003, 107, 44, 9319, https://doi.org/10.1021/jp0357119 . [all data]

Cias, Araki, et al., 2004
Cias, P.; Araki, M.; Denisov, A.; Maier, J.P., Gas phase detection of cyclic B[sub 3]: 2 [sup 2]E[sup ´]←X [sup 2]A[sub 1][sup ´] electronic origin band, J. Chem. Phys., 2004, 121, 14, 6776, https://doi.org/10.1063/1.1791153 . [all data]

Chacaga, Jochnowitz, et al., 2009
Chacaga, L.; Jochnowitz, E.B.; Guennoun, Z.; Ding, H.; Maier, J.P., The electronic gas-phase spectrum of B3 radical revisited, Int. J. Mass Spectrom., 2009, 280, 1-3, 174, https://doi.org/10.1016/j.ijms.2008.08.006 . [all data]

Wyss, Riaplov, et al., 2003
Wyss, M.; Riaplov, E.; Batalov, A.; Maier, J.P.; Weber, T.; Meyer, W.; Rosmus, P., Electronic absorption spectra of B[sub 3] and B[sub 3][sup -] in neon matrices and ab initio analysis of the vibronic structure, J. Chem. Phys., 2003, 119, 18, 9703, https://doi.org/10.1063/1.1613251 . [all data]

Batalov, Fulara, et al., 2005
Batalov, A.; Fulara, J.; Shnitko, I.; Maier, J.P., The near infrared electronic transition of B3 in a neon matrix, Chem. Phys. Lett., 2005, 404, 4-6, 315, https://doi.org/10.1016/j.cplett.2005.01.081 . [all data]

Li, Van Zee, et al., 1996
Li, S.; Van Zee, R.J.; Weltner, W., Jr., Infrared observations of the B3 and Al3 molecules in inert-gas matrices at 4 K, Chem. Phys. Lett., 1996, 262, 3-4, 298, https://doi.org/10.1016/0009-2614(96)01094-9 . [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]

Hamrick, Van Zee, et al., 1992
Hamrick, Y.M.; Van Zee, R.J.; Weltner, W., Jr., Electron-spin resonance and ground states of the boron and aluminum trimers, J. Chem. Phys., 1992, 96, 3, 1767, https://doi.org/10.1063/1.462132 . [all data]

Notes

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