Calculation of the Ground and Excited States of a Mixed Valence Compound [Fe2(OH)3(NH3)6]2+:  A Class II or Class III Compound?

2004 ◽  
Vol 43 (4) ◽  
pp. 1411-1420 ◽  
Author(s):  
Yannick Carissan ◽  
Jean-Louis Heully ◽  
Fabienne Alary ◽  
Jean-Pierre Daudey
ChemInform ◽  
2004 ◽  
Vol 35 (18) ◽  
Author(s):  
Yannick Carissan ◽  
Jean-Louis Heully ◽  
Fabienne Alary ◽  
Jean-Pierre Daudey

2014 ◽  
Vol 33 (19) ◽  
pp. 5618-5618 ◽  
Author(s):  
Alexandre Burgun ◽  
Benjamin G. Ellis ◽  
Thierry Roisnel ◽  
Brian W. Skelton ◽  
Michael I. Bruce ◽  
...  

2001 ◽  
Vol 123 (7) ◽  
pp. 1396-1402 ◽  
Author(s):  
Maria C. DeRosa ◽  
Christopher A. White ◽  
Christopher E. B. Evans ◽  
Robert J. Crutchley

2005 ◽  
Vol 127 (3) ◽  
pp. 920-925 ◽  
Author(s):  
Stephen F. Nelsen ◽  
Asgeir E. Konradsson ◽  
João P. Telo

2014 ◽  
Vol 92 (10) ◽  
pp. 940-947 ◽  
Author(s):  
Ryan M. Hoekstra ◽  
Yen-Ting Chen ◽  
Matthew D. Kiesz ◽  
João P. Telo ◽  
Rachel M. Stephenson ◽  
...  

Optical absorption spectra of three dinitroaromatic radical anions, 2,7-dinitro-9,9-dimethylfluorene (1•−), 4,4′-dinitrobiphenyl (2•−), and 4,4′-dinitrotolane (3•−) in solvents THF, HMPA, and MeCN show both an unresolved broad band characteristic of charge-localized mixed valence species (Robin-Day classification Class II), and a vibronically structured band of the delocalized species (Class III). With decreasing solvent reorganization energy, a greater portion of the compounds become charge-delocalized. In particular, 1•− with the greatest coupling, is almost entirely composed of the delocalized species in all solvents. An intense Raman mode is used to identify the charge-bearing unit as the nitrobenzene moiety. Resonance Raman profiles are utilized to gain detailed information of vibrational modes. The out-of-phase ring lengthening stretch mode is observed to be enhanced at higher excitation energies, corresponding to the absorption band of the Class II species, while the in-phase ring lengthening stretch mode, a totally symmetric vibration, is most strongly enhanced in the absorption region of the Class III species. Resonance Raman profiles support the solvent-dependent coexistence of Class II and Class III molecules of the same chemical composition.


2017 ◽  
Vol 53 (21) ◽  
pp. 3030-3033 ◽  
Author(s):  
Yi Yang Wu ◽  
Miao Meng ◽  
Gang Yi Wang ◽  
Pengju Feng ◽  
Chun Y. Liu

A transition of mixed-valence systems from Class II to Class III crossing the Class II–III borderline is achieved by four thienylene-bridged Mo2 dimers, and is probed using spectral parameters of intervalence charge transfer absorption (band energy, intensity and shape). This study offers fresh and detailed observations of optical behaviors of MV compounds in different regimes.


2014 ◽  
Vol 33 (16) ◽  
pp. 4209-4219 ◽  
Author(s):  
Alexandre Burgun ◽  
Benjamin G. Ellis ◽  
Thierry Roisnel ◽  
Brian W. Skelton ◽  
Michael I. Bruce ◽  
...  

2005 ◽  
Vol 319 (1-3) ◽  
pp. 28-38 ◽  
Author(s):  
Peter H. Dinolfo ◽  
Robert D. Williams ◽  
Joseph T. Hupp
Keyword(s):  
Class Ii ◽  

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