Orbital Symmetry Control of Electronic Coupling in a Symmetrical, All-Carbon-Bridged “Mixed Valence” Compound: Synthesis, Spectroscopy, and Electronic Structure of [{Mo(dppe)(η-C7H7)}2(μ-C4)]n+ (n = 0, 1, or 2)

2011 ◽  
Vol 31 (1) ◽  
pp. 157-169 ◽  
Author(s):  
Emma C. Fitzgerald ◽  
Neil J. Brown ◽  
Ruth Edge ◽  
Madeleine Helliwell ◽  
Hannah N. Roberts ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Mixed Valence ◽  
Electronic Coupling ◽  
Orbital Symmetry ◽  
Compound Synthesis ◽  
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.

121Sb NMR and SCF-MS-Xα Studies of Quadrupole Interaction and The Electronic Structure of Mixed-Valence Compound, Cs2SbCl6

1996 ◽  
Vol 51 (5-6) ◽  
pp. 672-676 ◽  
Author(s):  
Takahiro Ueda ◽  
Nobuo Nakamura
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Ground State ◽  
Mixed Valence ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Nmr Spectrum ◽  
Quadrupole Coupling ◽  
Mixed Valence Compound ◽  
Complex Anions

Cs2SbCl6 is known as a typical mixed-valence compound. It crystallizes into a tetragonal space group I41/amd and contains two different complex anions, Sb(III)Cl3-6 and Sb(V)Cl-6 . The dark blue color of this compound has been considered to originate from a charge transfer between the above two anions. In order to study the electronic structure of these complex anions and the existence of charge transfer between them we measured the 121Sb NMR spectrum and carried out molecular orbital calculations on the electronic states of these anions. The 121Sb NMR spectrum consists of two peaks at 0 and 30 kHz which can be assigned to the central transition of 121Sb in Sb(V)Cl-6 and Sb(III)Cl3-6 , respectively. The line shape analyses of the spectra led to nuclear quadrupole coupling constants of nearly zero for Sb(V)Cl-6 and 4.9 ± 0.5 MHz for Sb(III)Cl3-6 at room temperature. The quadrupole coupling constant of 121Sb(III) decreases steadily on heating. The calculations of the electronic ground state energies of both anions were calculated by the MS-Xα molecular orbital method. The calculated charge-transfer band from the A1g state of Sb(III)Cl3-6 to the A1g state of Sb(V)Cl-6 appears at 610 nm and can account for the experimental electronic spectrum, the calculated quadrupole coupling constant in Sb(III)Cl3-6 however is far larger than the experimental one. The contribution of the charge-transferred state to the ground state is negligible and so the temperature dependence of the quadrupole coupling constant of 121Sb(III) is attributed to an anisotropic thermal expansion of the compound.

The electronic structure of the mixed valence compound Pb3O4

1997 ◽  
Vol 58 (4) ◽  
pp. 561-566 ◽  
Author(s):  
H.J. Terpstra ◽  
R.A. De Groot ◽  
C. Haas
Keyword(s):  
Electronic Structure ◽  
Mixed Valence ◽  
Mixed Valence Compound

Orthogonal electronic coupling in multicentre arylamine mixed-valence compounds based on a dibenzofulvene–thiophene conjugated bridge

2017 ◽  
Vol 53 (64) ◽  
pp. 8960-8963 ◽  
Author(s):  
A. Beneduci ◽  
G. A. Corrente ◽  
E. Fabiano ◽  
V. Maltese ◽  
S. Cospito ◽  
...  
Keyword(s):  
Near Infrared ◽  
Mixed Valence ◽  
Infrared Region ◽  
Optical Modulation ◽  
Electronic Coupling ◽  
Voltage Dependent ◽  
Near Infrared Region ◽  
Mixed Valence Compounds

Novel H-shaped tetrarylamine mixed valence compounds showing orthogonal electronic coupling generate voltage-dependent electro-optical modulation in the near infrared region.

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.

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