Interpretation of Mixed-Valence Compound Optical Spectra Near the Class II/III Border: Dinitrobiphenyl and Dinitrophenanthrene Radical Anions

2008 ◽  
Vol 112 (49) ◽  
pp. 12622-12628 ◽  
Author(s):  
Stephen F. Nelsen ◽  
Kevin P. Schultz ◽  
João P. Telo
Keyword(s):  
Mixed Valence ◽  
Class Ii ◽  
Optical Spectra ◽  
Radical Anions ◽  
Mixed Valence Compound

Resonance Raman spectroscopic study of solvent-dependent coexistence of localized and delocalized dinitroaromatic radical anions

2014 ◽  
Vol 92 (10) ◽  
pp. 940-947 ◽  
Author(s):  
Ryan M. Hoekstra ◽  
Yen-Ting Chen ◽  
Matthew D. Kiesz ◽  
João P. Telo ◽  
Rachel M. Stephenson ◽  
...  
Keyword(s):  
Broad Band ◽  
Mixed Valence ◽  
Resonance Raman ◽  
Reorganization Energy ◽  
Class Ii ◽  
Radical Anions ◽  
Class Iii ◽  
Excitation Energies ◽  
Absorption Region ◽  
Stretch Mode

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.

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?

ChemInform ◽  
2004 ◽  
Vol 35 (18) ◽  
Author(s):  
Yannick Carissan ◽  
Jean-Louis Heully ◽  
Fabienne Alary ◽  
Jean-Pierre Daudey
Keyword(s):  
Excited States ◽  
Mixed Valence ◽  
Class Ii ◽  
Class Iii ◽  
Mixed Valence Compound

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
Keyword(s):  
Excited States ◽  
Mixed Valence ◽  
Class Ii ◽  
Class Iii ◽  
Mixed Valence Compound

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

2016 ◽  
Vol 18 (46) ◽  
pp. 31973-31974 ◽  
Author(s):  
Mariana Derzsi ◽  
Wojciech Grochala
Keyword(s):  
Electronic Structure ◽  
Recent Article ◽  
Theoretical Study ◽  
Mixed Valence ◽  
Chem Phys ◽  
External Pressure ◽  
Valence Transition ◽  
Mixed Valence Compound ◽  
Phys Chem Chem Phys

The recent article by Hou et al. has focused on a theoretical study of mixed valence compound AgO in order to elucidate the nature of the electronic structure of this system as a function of external pressure.

Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]

2014 ◽  
Vol 1 (4) ◽  
pp. 351-354 ◽  
Author(s):  
Liqun Jin ◽  
Mohand Melaimi ◽  
Liu Liu ◽  
Guy Bertrand
Keyword(s):  
Transition Metals ◽  
Radical Cation ◽  
Mixed Valence ◽  
Ethynyl Radical ◽  
Mixed Valence Compound ◽  
Singlet Carbenes

A bis-carbene-stabilized ethynyl radical cation, a purely organic mixed valence compound, is indefinitely air stable.

Crystal structure and properties of a new mixed-valence compound LiMn2TeO6 and the survey of the LiMM′XO6 family (X = Sb or Te)

2011 ◽  
Vol 13 (11) ◽  
pp. 1931-1937 ◽  
Author(s):  
A.A. Pospelov ◽  
V.B. Nalbandyan ◽  
E.I. Serikova ◽  
B.S. Medvedev ◽  
M.A. Evstigneeva ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mixed Valence ◽  
Structure And Properties ◽  
Mixed Valence Compound

Correction to From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch

2014 ◽  
Vol 33 (19) ◽  
pp. 5618-5618 ◽  
Author(s):  
Alexandre Burgun ◽  
Benjamin G. Ellis ◽  
Thierry Roisnel ◽  
Brian W. Skelton ◽  
Michael I. Bruce ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Molecular Wires ◽  
Class Ii ◽  
Class Iii
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