CaC5H4CH3

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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 14567 gas B-X 657 687 Robles, Ellis, et al., 1992
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 19 Ca..C5 stretch 304 gas LF Robles, Ellis, et al., 1992
20 Ca..C5 bend 150 gas LF Robles, Ellis, et al., 1992
a 36 Ca..C5 bend 175 H gas LF Robles, Ellis, et al., 1992

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 14465 gas A-X 660 692 Robles, Ellis, et al., 1992
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 19 Ca..C5 stretch 307 gas LF Robles, Ellis, et al., 1992
20 Ca..C5 bend 139 gas LF Robles, Ellis, et al., 1992
a 36 Ca..C5 bend 175 H gas LF Robles, Ellis, et al., 1992

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 19 Ca..C5 stretch 297 gas LF Robles, Ellis, et al., 1992
20 Ca..C5 bend 143 gas LF Robles, Ellis, et al., 1992
a 36 Ca..C5 bend 169 H gas LF Robles, Ellis, et al., 1992

Additional references: Jacox, 1994, page 403

Notes

H(1/2)(2ν)
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

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

Robles, Ellis, et al., 1992
Robles, E.S.J.; Ellis, A.M.; Miller, T.A., Electronic spectroscopy of jet-cooled half-sandwich organometallic complexes CaC5H5, CaC5H4CH3, and CaC4H4N, J. Am. Chem. Soc., 1992, 114, 18, 7171, https://doi.org/10.1021/ja00044a033 . [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]

Notes

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