Dynamics in higher lying excited states: Valence to Rydberg transitions in the relaxation paths of pyrrole and methylated derivatives

Ting Geng; Oliver Schalk; Simon P. Neville; Tony Hansson; Richard D. Thomas

doi:10.1063/1.4979681

Dynamics in higher lying excited states: Valence to Rydberg transitions in the relaxation paths of pyrrole and methylated derivatives

The Journal of Chemical Physics ◽

10.1063/1.4979681 ◽

2017 ◽

Vol 146 (14) ◽

pp. 144307 ◽

Cited By ~ 12

Author(s):

Ting Geng ◽

Oliver Schalk ◽

Simon P. Neville ◽

Tony Hansson ◽

Richard D. Thomas

Keyword(s):

Excited States ◽

Rydberg Transitions

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Electronic excited states of chromium and vanadium bisarene complexes revisited: interpretation of the absorption spectra on the basis of TD DFT calculations

Dalton Transactions ◽

10.1039/c4dt01481b ◽

2014 ◽

Vol 43 (47) ◽

pp. 17703-17711 ◽

Cited By ~ 3

Author(s):

Sergey Ketkov ◽

Nikolai Isachenkov ◽

Elena Rychagova ◽

Wen-Bih Tzeng

Keyword(s):

Dft Calculations ◽

Absorption Spectra ◽

Excited States ◽

Time Dependent ◽

Electronic Excited States ◽

Td Dft ◽

Rydberg Transitions

The influence of the (η6-arene)2M (M = Cr, V, Cr+) composition on parameters of intravalency and Rydberg transitions is explained on the basis of time-dependent DFT.

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Vuv Spectra Y to Mo

International Astronomical Union Colloquium ◽

10.1017/s0252921100107808 ◽

1988 ◽

Vol 102 ◽

pp. 239

Author(s):

M.S.Z. Chaghtai

Keyword(s):

Excited States ◽

Spectral Analyses ◽

Vuv Spectra

Using R.D. Cowan’s computations (1979) and parametric calculations of Meinders et al (1982), old analyses are thoroughly revised and extended at Aligarh, of Zr III by Khan et al (1981), of Nb IV by Shujauddin et Chaghtai (1985), of Mo V by Tauheed at al (1985). Cabeza et al (1986) confirmed the last one largely.Extensive studies have been reported of the 1–e spectra, Zr IV (Rahimullah et al 1980; Acquista and Reader 1980), Nb V (Shujauddin et al 1982; Kagan et al 1981) and Mo VI (Edlén et al 1985). Some interacting 4p54d2levels of these spectra have been reported from our laboratory, also.Detailed spectral analyses of transitions between excited states have furnished complete energy values for J ≠ 1 levels of these spectra during 1970s and 80s. Shujauddin et al (1982) have worked out Nb VI and Tauheed et al (1984) Mo VII from our lab, while Khan et al (1981) share the work on Zr V with Reader and Acquista (1979).

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