Excited states electronic structure

The relatively broad and featureless absorption spectra of [Fe3S4l clusters belies their complex excited-state electronic structure. This is illustrated in Fig. 5 using P. furiosus 3Fe Fd as an example (42). In addition to the protein band centered at 280 nm, the UV-visible... 

Kodali G, Kistler KA, Matsika S, Stanley RJ (2007) 2-aminopurine excited state electronic structure measured by stark spectroscopy. J Phys Chem B 111 10615-10625... 

Bredas J-L, Comil J, Beljonne D, Santos DAD, Shuai Z (1999) Excited-state electronic structure of conjugated oligomers and polymers a quantum-chemical approach to optical phenomena. Acc Chem Res 32 267-276... 

The preceding discussion of the relationships between excited state electronic structure and photochemical reactivity focused primarily upon coordination compounds containing cP or low-spin cP transition metals. These relationships are generally applicable, however, to complexes of other d transition elements, the lanthanides and the actinides. A brief survey of the photochemical reactions of these latter systems is presented below. 

Nucleic Acid Excited-State Electronic Structure... 

In recent years, the ground-state and excited-state electronic structure of nucleobases and short oligonucleotides has become much clearer. Because other chapters in this book review the experimental, theoretical and computational aspects of nucleobase and oligonucleotide electronic states, only a very brief review will be given here. 

Time-resolved, step-scan FT-IR spectroscopy has been used to monitor the v(CO) frequencies of rhenium(I) carbonyl polypyridine complexes and hence to study the excited-state electronic structures of these systems. The MLCT and IT character in the emissive states of [Re(CO)3(phen)(py-4-Me)]+ and [Re(CO)3(dppz)(PPh3)]+, respectively, has been studied by this technique. The presence of two close-lying states of MLCT and IL character for the complex [Re(CO)3(4,4 - NH2 2-bpy)(py-4-Et)]+ was also confirmed. 

Monat J. E., Rodriguez J. H. and McCusker J. K. (2002), Ground- and excited-state electronic structures of the solar cell sensitizer bis(4,4 -dicarboxylato-2,2 -bipyridine)bis(isothiocyanato)ruthenium(II), J. Phys. Chem. A 106, 7399-7406. 

The normal difficulties that are associated with the MEP originate from the number of electrons, the complexity of excited state electronic structures and the possible strong mixing of the open channels. This was the case with the... 

MCD spectroscopy has been used to probe the excited state electronic structure of the electron transfer relevant [Mo -OH][Fe ] state of chicken SO and the Mo(v) resting state of YedY. YedY(MsrPQ) possesses the SUOX fold, and has recently been shown to be a periplasmic methionine sulfoxide reductase. Protein film voltammetry has been used to propose a mechanism for... 

With the above introduction to excited state electronic structure and having established the notation conventions to be used from now on, we can begin to deal with state manifolds of polyelectronic systems. Before we proceed to do so, we note parenthetically the lucid discussion and ingenius utilization of the "two electron-... 

Ground- and Excited-State Electronic Structures of the Solar Cell Sensitizer bis(4,4 -dicar-boxylato-2,2 -bipyridine)bis(isothiocyanato)ruthenium(II). 

Jankowiak, R. and SmaU, G.J., Spectral hole burning a window on excited state electronic structure, heterogeneity, electron-photon coupling, and transport dynamics of photosynthetic units, in The Photosynthetic Reaction Center, VoL 11, Deisenhofer, J. and Norris, J.R.., Eds., Academic Press, New York, 1993, p. 133. 

Highly vibrationally excited states electronic structure and... 

Figure 9.3 Shows the molecular orbitals for trans octatetraene ignoring, hydrogen-carbon bonds, and the filling of these orbitals with electrons. Both possible transitions that would result from a 1-electron model of the structure and the actual result including electron correlation effects are also shown, indicating that the lowest energy optical transitions are not from the HOMO to the LUMO states. Only a two-electron transition is allowed between these states for a photon-only process. Reprinted with permission from Bredas, Jean-Luc et al. Excited-state electronic structure of conjugated oligomers and polymers a quantum-chemical approach to optical phenomena . Accounts in Chemical Research 1999 32 267-276. [1] Copyright 1999 American Chemical Society.

---