cyc-(TiN)2

Vibrational and/or electronic energy levels

Go To: Top, References, Notes

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:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 7773.0 T Ne D-X 1125 1287 Himmel, Hubner, et al., 2006
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 1 826 T Ne AB Himmel, Hubner, et al., 2006
2 448 T Ne AB Himmel, Hubner, et al., 2006
b2u 6 OPLA 218 T Ne AB Himmel, Hubner, et al., 2006

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Ne C-X 1148 1210 Himmel, Hubner, et al., 2006

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 7661 T Ne B-X 1140 1305 Himmel, Hubner, et al., 2006
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 2 468 T Ne AB Himmel, Hubner, et al., 2006
b1u 4 775 T Ne AB Himmel, Hubner, et al., 2006
b2u 6 OPLA 182 T Ne AB Himmel, Hubner, et al., 2006

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 7581.1 T Ne A-X 1176 1319 Himmel, Hubner, et al., 2006
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 1 788 T Ne AB Himmel, Hubner, et al., 2006
2 460 T Ne AB Himmel, Hubner, et al., 2006

State:   a
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 6333.7 T Ne a-X 1395 1579 Himmel, Hubner, et al., 2006
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 1 832 T Ne AB Himmel, Hubner, et al., 2006
b2g 3 553 T Ne AB Himmel, Hubner, et al., 2006
b2u 6 OPLA 205 T Ne AB Himmel, Hubner, et al., 2006

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 1 811 T Ne IR Himmel, Hubner, et al., 2006, 2
Himmel, Hubner, et al., 2006
2 464 ± 5 Ne IR Himmel, Hubner, et al., 2006, 2
Himmel, Hubner, et al., 2006
b2g 3 538 ± 5 Ne IR Himmel, Hubner, et al., 2006, 2
Himmel, Hubner, et al., 2006
b1u 4 782.25 Ne IR Himmel, Hubner, et al., 2006, 2
Himmel, Hubner, et al., 2006
4 770.4 Ar IR Himmel, Hubner, et al., 2006
b3u 5 774.77 Ne IR Himmel, Hubner, et al., 2006, 2
Himmel, Hubner, et al., 2006
5 765.9 Ar IR Kushto, Souter, et al., 1999
Himmel, Hubner, et al., 2006
b2u 6 OPLA 149.72 Ne IR Himmel, Hubner, et al., 2006, 2
Himmel, Hubner, et al., 2006
6 OPLA 155 Ar IR Himmel, Hubner, et al., 2006

Additional references: Jacox, 2003, page 204

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

Himmel, Hubner, et al., 2006
Himmel, H.-J.; Hubner, O.; Bischoff, F.A.; Klopper, W.; Manceron, L., Reactivity of titanium dimer and molecular nitrogen in rare gas matrices. Vibrational and electronic spectra and structure of Ti2N2, Phys. Chem. Chem. Phys., 2006, 8, 17, 2000, https://doi.org/10.1039/b517526g . [all data]

Himmel, Hubner, et al., 2006, 2
Himmel, H.-J.; Hubner, O.; Klopper, W.; Manceron, L., Cleavage of the N2 Triple Bond by the Ti Dimer: A Route to Molecular Materials for Dinitrogen Activation?, Angew. Chem. Int. Ed., 2006, 45, 17, 2799, https://doi.org/10.1002/anie.200503709 . [all data]

Kushto, Souter, et al., 1999
Kushto, G.P.; Souter, P.F.; Chertihin, G.V.; Andrews, L., An infrared spectroscopic and density functional investigation of dinitrogen activation by group IV metal atoms, J. Chem. Phys., 1999, 110, 18, 9020, https://doi.org/10.1063/1.478822 . [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