Excited state EPR and exchange interactions in paramagnetic singlet-ground-state systems

1976 ◽  
Author(s):  
B. R. Copper ◽  
C. Y. Huang ◽  
K. Sugawara
Keyword(s):  
Excited State ◽  
Ground State ◽  
Exchange Interactions ◽  
Singlet Ground State

Forbidden Electronic Transitions between the Singlet Ground State and the Triplet Excited State of Pt(II) Complexes

1998 ◽  
Vol 37 (14) ◽  
pp. 3588-3592 ◽  
Author(s):  
Greg Y. Zheng ◽  
D. Paul Rillema ◽  
Jeff DePriest ◽  
Clifton Woods
Keyword(s):  
Excited State ◽  
Ground State ◽  
Electronic Transitions ◽  
Singlet Ground State ◽  
Triplet Excited State

EXTENSION OF ENERGY DENSITY ANALYSIS TO TREATING CHEMICAL BONDS IN MOLECULES

2005 ◽  
Vol 04 (01) ◽  
pp. 317-331 ◽  
Author(s):  
HIROMI NAKAI ◽  
YASUAKI KIKUCHI
Keyword(s):  
Excited State ◽  
Energy Density ◽  
Ground State ◽  
Present Method ◽  
Chem Phys ◽  
Singlet Ground State ◽  
Chemical Bonds ◽  
Triplet Excited State ◽  
Hartree Fock ◽  
Density Analysis

We have extended the method of energy density analysis (EDA), originally proposed by Nakai (Chem Phys Lett363:73, 2002), to treat chemical bonds in molecules. The present method, termed "Bond-EDA", partitions the total energy calculated by the Hartree–Fock method not only into atomic regions, but also bond regions. Numerical applications of Bond-EDA are carried out for ethane and ethylene. The C – C and C – H dissociation processes are examined for both molecules. For ethylene, we further investigate the changes of chemical bonds by the excitation from the singlet ground state to the triplet excited state.

Complexes of nickel(II) with substituted thioureas

1968 ◽  
Vol 46 (20) ◽  
pp. 3119-3128 ◽  
Author(s):  
R. A. Bailey ◽  
Terry Roy Peterson
Keyword(s):  
Excited State ◽  
Ground State ◽  
Singlet Ground State ◽  
Methyl Ethyl ◽  
Triplet Excited State ◽  
Magnetic Studies ◽  
Distorted Octahedral

A series of Ni(II) complexes with methyl-, ethyl-, and sym-dimethyl-, sym-diethyl-, and sym-di-n-butyl- thioureas and halide, perchlorate, and thiocyanate anions have been prepared and characterized. Spectral and magnetic studies show that compounds NiL4X2 (L = N,N′-dimethyl and N,N′-diethylthiourea, X = halide) are tetragonally distorted octahedral species with a singlet ground state and a thermally populated triplet excited state. The remaining compounds are octahedral. Infrared evidence shows sulfur bonding of the disubstituted ligands to the metal, but suggests nitrogen coordination of the methylthiourea compounds.

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