Studies of the Triplet State of Carbonyl Compounds. I. Phosphorescence of β‐Diketones

1972 ◽  
Vol 57 (4) ◽  
pp. 1418-1425 ◽  
Author(s):  
P. Gacoin
Keyword(s):  
Triplet State ◽  
Carbonyl Compounds

Abinitio SCF-MO calculations of features of the lowest triplet state potential surfaces of several tetraatomic carbonyl compounds

1982 ◽  
Vol 60 (2) ◽  
pp. 100-105 ◽  
Author(s):  
A. Kapur ◽  
R. P. Steer ◽  
P. G. Mezey
Keyword(s):  
Potential Energy ◽  
Triplet State ◽  
Carbonyl Compounds ◽  
Potential Energy Surfaces ◽  
Vibrational Frequencies ◽  
Mo Calculations ◽  
Potential Surfaces ◽  
Out Of Plane ◽  
State Potential ◽  
Energy Surfaces

Non-empirical SCF-MO calculations have been carried out for a series of tetraatomic carbonyl compounds. Portions of the ground singlet and first triplet state potential energy surfaces, in particular those along the out-of-plane bending coordinates, have been determined. Estimates of the first triplet state out-of-plane vibrational frequencies have been calculated.

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