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CH3I+


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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 81200 ± 900 gas Potts, Lempka, et al., 1970

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 35180 ± 900 gas Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 16884 gas Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Goss, Morrison, et al., 1981
Goss, McGilvery, et al., 1981
McLoughlin, Morrison, et al., 1985
Woodward, Colson, et al., 1986
Weinkauf, Walter, et al., 1987
Walter, Weinkauf, et al., 1988
Lee and Kim, 2007
Bae and Kim, 2008
Tx = 26800 Ar A-X Andrews, Miller, et al., 1979


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

a1 1 CH3 stretch 2810 gas PF Goss, McGilvery, et al., 1981
2 Umbrella 1192 gas PF Woodward, Colson, et al., 1986
Weinkauf, Walter, et al., 1987
Walter, Weinkauf, et al., 1988
3 CI stretch 294.2 gas PE PF Karlsson, Jadrny, et al., 1977
Woodward, Colson, et al., 1986
Weinkauf, Walter, et al., 1987
Walter, Weinkauf, et al., 1988
e 5 CH2 scissor 1394 gas TPI Lee and Kim, 2007
6 CH3 rock 1130 gas TPI Lee and Kim, 2007

State:   X


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

a1 1 CH3 stretch 2937.8 ± 0.2 gas TPE TPI Strobel, Fischer, et al., 1994
Urban and Bondybey, 2002
Wang, Xing, et al., 2004
Lee, Bae, et al., 2008
Xing, Reed, et al., 2008
2 CH3 umbrella 1257 ± 3 gas PF TPE Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Woodward, Colson, et al., 1986
Strobel, Fischer, et al., 1994
2 CH3 umbrella 1257 ± 3 gas PF TPI Urban and Bondybey, 2002
Lee, Bae, et al., 2008
3 CI stretch 480 ± 3 gas TPE TPI Potts, Lempka, et al., 1970
Karlsson, Jadrny, et al., 1977
Strobel, Fischer, et al., 1994
Urban and Bondybey, 2002
Lee, Bae, et al., 2008
e 4 CH3 stretch 3043 ± 3 gas TPE TPI Karlsson, Jadrny, et al., 1977
Chau and Karlsson, 1977
Strobel, Fischer, et al., 1994
Urban and Bondybey, 2002
Lee, Bae, et al., 2008
5 Deformation 1399 ± 3 gas TPE TPI Strobel, Fischer, et al., 1994
Urban and Bondybey, 2002
Lee, Bae, et al., 2008
6 CH3 rock 861 ± 3 gas TPE TPI Karlsson, Jadrny, et al., 1977
Strobel, Fischer, et al., 1994
Urban and Bondybey, 2002
Lee, Bae, et al., 2008

Additional references: Jacox, 1994, page 239; Jacox, 2003, page 260; Bae and Kim, 2008, 2; Grutter, Michaud, et al., 2011

Notes

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.

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.

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Ragle, Stenhouse, et al., 1970
Ragle, J.L.; Stenhouse, I.A.; Frost, D.C.; McDowell, C.A., Valence-shell ionization potentials of halomethanes by photoelectron spectroscopy. I. CH3Cl, CH3Br, CH3I. Vibrational frequencies and vibronic interaction in CH3Br+ and CH3Cl+, J. Chem. Phys., 1970, 53, 178. [all data]

Karlsson, Jadrny, et al., 1977
Karlsson, L.; Jadrny, R.; Mattsson, L.; Chau, F.T.; Siegbahn, K., Vibrational and Vibronic Structure in the Valence Electron Spectra of CH, Phys. Scripta, 1977, 16, 5-6, 224, https://doi.org/10.1088/0031-8949/16/5-6/010 . [all data]

Goss, Morrison, et al., 1981
Goss, S.P.; Morrison, J.D.; Smith, D.L., A laser-induced photodissociation study of CH3I+ and CD3I+ at high resolution, J. Chem. Phys., 1981, 75, 2, 757, https://doi.org/10.1063/1.442117 . [all data]

Goss, McGilvery, et al., 1981
Goss, S.P.; McGilvery, D.C.; Morrison, J.D.; Smith, D.L., The photodissociation of some alkyl iodide cations, J. Chem. Phys., 1981, 75, 4, 1820, https://doi.org/10.1063/1.442261 . [all data]

McLoughlin, Morrison, et al., 1985
McLoughlin, R.G.; Morrison, J.D.; Smith, D.L.; Wahrhaftig, A.L., Rotational analysis of the A 2E1/2(0,1,7)<--X 2E1/2 (0,0,0) transition in CH3I+, J. Chem. Phys., 1985, 82, 3, 1237, https://doi.org/10.1063/1.448443 . [all data]

Woodward, Colson, et al., 1986
Woodward, A.M.; Colson, S.D.; Chupka, W.A.; White, M.G., Vibrational analysis of the ~A-~X photodissociation spectrum of methyl iodide, J. Phys. Chem., 1986, 90, 2, 173, https://doi.org/10.1021/j100274a014 . [all data]

Weinkauf, Walter, et al., 1987
Weinkauf, R.; Walter, K.; Boesl, U.; Schlag, E.W., Mass-selected molecular ion spectra: (1+1)-Photodissociation spectroscopy of CH3I+ and CD3I+, Chem. Phys. Lett., 1987, 141, 4, 267, https://doi.org/10.1016/0009-2614(87)85022-4 . [all data]

Walter, Weinkauf, et al., 1988
Walter, K.; Weinkauf, R.; Boesl, U.; Schlag, E.W., Molecular ion spectroscopy: Mass selected, resonant two-photon dissociation spectra of CH3I+ and CD3I+, J. Chem. Phys., 1988, 89, 4, 1914, https://doi.org/10.1063/1.455088 . [all data]

Lee and Kim, 2007
Lee, M.; Kim, M.S., High resolution spectroscopy for the A [sup 2]A[sub 1] state of CH[sub 3]I[sup +] by mass-analyzed threshold ionization/photodissociation, J. Chem. Phys., 2007, 127, 12, 124313, https://doi.org/10.1063/1.2778679 . [all data]

Bae and Kim, 2008
Bae, Y.J.; Kim, M.S., Rotational state selection of a CH[sub 3]I[sup +] ion beam using vacuum ultraviolet--mass-analyzed threshold ionization spectroscopy: Characterization using photodissociation spectroscopy, J. Chem. Phys., 2008, 128, 12, 124324, https://doi.org/10.1063/1.2884340 . [all data]

Andrews, Miller, et al., 1979
Andrews, L.; Miller, J.H.; Prochaska, E.S., Matrix photoionization of methyl halides. Ultraviolet spectra of the parent cations and infrared evidence for intramolecular hydrogen-bonded parent anions in solid argon, J. Am. Chem. Soc., 1979, 101, 24, 7158, https://doi.org/10.1021/ja00518a005 . [all data]

Strobel, Fischer, et al., 1994
Strobel, A.; Fischer, I.; Lochschmidt, A.; Muller-Dethlefs, K.; Bondybey, V.E., Photodissociation Dynamics of CH3I and CD3I Probed by Zero Kinetic Energy Photoelectron Spectroscopy, J. Phys. Chem., 1994, 98, 8, 3035, https://doi.org/10.1021/j100059a008 . [all data]

Urban and Bondybey, 2002
Urban, B.; Bondybey, V.E., One-color multiphoton threshold photoelectron spectra of methyl bromide, and their comparison with methyl iodide, J. Chem. Phys., 2002, 116, 12, 4938, https://doi.org/10.1063/1.1447219 . [all data]

Wang, Xing, et al., 2004
Wang, P.; Xing, X.; Lau, K.-C.; Woo, H.K.; Ng, C.Y., Rovibrational-state-selected pulsed field ionization-photoelectron study of methyl iodide using two-color infrared-vacuum ultraviolet lasers, J. Chem. Phys., 2004, 121, 15, 7049, https://doi.org/10.1063/1.1807818 . [all data]

Lee, Bae, et al., 2008
Lee, M.; Bae, Y.J.; Kim, M.S., K selection in one-photon mass-analyzed threshold ionization of CH[sub 3]I and CD[sub 3]I to the X [sup 2]E[sub 3«8725»2] state cations, J. Chem. Phys., 2008, 128, 4, 044310, https://doi.org/10.1063/1.2823032 . [all data]

Xing, Reed, et al., 2008
Xing, X.; Reed, B.; Bahng, M.-K.; Baek, S.-J.; Wang, P.; Ng, C.Y., Infrared--vacuum ultraviolet--pulsed field ionization--photoelectron study of CH[sub 3]I[sup +] using a high-resolution infrared laser, J. Chem. Phys., 2008, 128, 10, 104306, https://doi.org/10.1063/1.2888557 . [all data]

Chau and Karlsson, 1977
Chau, F.T.; Karlsson, L., Vibronic Interaction in Molecules and Ions. II., Phys. Scripta, 1977, 16, 5-6, 258, https://doi.org/10.1088/0031-8949/16/5-6/014 . [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]

Bae and Kim, 2008, 2
Bae, Y.J.; Kim, M.S., Photodissociation Spectroscopy of CD, ChemPhysChem, 2008, 9, 12, 1709, https://doi.org/10.1002/cphc.200800207 . [all data]

Grutter, Michaud, et al., 2011
Grutter, M.; Michaud, J.M.; Merkt, F., Photoelectron spectroscopic study of the E«8855»e Jahn--Teller effect in the presence of a tunable spin--orbit interaction. I. Photoionization dynamics of methyl iodide and rotational fine structure of CH3I+ and CD3I+, J. Chem. Phys., 2011, 134, 5, 054308, https://doi.org/10.1063/1.3547548 . [all data]


Notes

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