Application of the Method of Group Density Analysis to a Study of Excited States Acid-Base Equilibria in Conjugated Molecules

1976 ◽  
pp. 373-388
Author(s):  
R. Constanciel ◽  
O. Chalvet
Keyword(s):  
Excited States ◽  
Acid Base ◽  
Conjugated Molecules ◽  
Density Analysis ◽  
Group Density

Acid-Base Behavior of the Ground and Excited States of Platinum(II) Complexes of Quinoxaline-2,3-dithiolate

1995 ◽  
Vol 34 (13) ◽  
pp. 3396-3403 ◽  
Author(s):  
Scott D. Cummings ◽  
Richard Eisenberg
Keyword(s):  
Excited States ◽  
Acid Base

Acid−Base and Electrochemical Properties of the MLCT Excited States and One-Electron-Reduced Forms of Ruthenium(II) Complexes Containing 2-(2‘-Pyridyl)pyrimidine and 2,2‘-Bipyridine in Aqueous Solution

1997 ◽  
Vol 36 (11) ◽  
pp. 2252-2257 ◽  
Author(s):  
Fiorella Casalboni ◽  
Quinto G. Mulazzani ◽  
Catherine D. Clark ◽  
Morton Z. Hoffman ◽  
Peter L. Orizondo ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Electrochemical Properties ◽  
Excited States ◽  
Acid Base ◽  
Reduced Forms

Development of Novel C–H Bond Transformations and Their Application to the Synthesis of Organic Functional Molecules

Synlett ◽  
2018 ◽  
Vol 29 (16) ◽  
pp. 2093-2107 ◽  
Author(s):  
Yoichiro Kuninobu
Keyword(s):  
Hydrogen Bonding ◽  
Lewis Acid ◽  
Functional Materials ◽  
Personal Account ◽  
Acid Base ◽  
Base Interaction ◽  
Conjugated Molecules ◽  
Heteroaromatic Compounds ◽  
Acid Unit ◽  
Acid Base Interaction

This personal account summarizes our recent progress in the development of C–H transformations. We achieved ortho-selective C–H borylations and silylations by using Lewis acid–base interaction between two substrates and we achieved meta- and ortho-selective C–H borylations by using hydrogen bonding or Lewis acid–base interaction between a hydrogen donor or Lewis acid unit of a ligand and a functional group of a substrate. Regioselective C–H trifluoromethylations and related reactions of six-membered heteroaromatic compounds were realized at their 2- and 4-positions and at their benzylic positions. In addition, we developed C–H transformations directed towards the synthesis of organic functional materials, such as highly soluble polyimides or π-conjugated molecules containing either heteroatom(s) or a Lewis acid–base interaction.1 Introduction2 Regioselective C–H Transformations Controlled by Noncovalent Bond Interactions2.1 Regioselective C–H Transformations Controlled by Lewis Acid–Base Interaction between Two Substrates2.2 Regioselective C–H Transformation Controlled by Hydrogen Bonding between Ligand and Substrate2.3 Regioselective C–H Transformations Controlled by Lewis Acid–Base Interactions between Ligands and Substrates3 Trifluoromethylation and Related Transformations of Six-Membered Heteroaromatic Compounds3.1 2-Position-Selective C–H Trifluoromethylation of Six-Membered Heteroaromatic Compounds3.2 4-Position-Selective C–H Trifluoromethylation of Six-Membered Heteroaromatic Compounds3.3 Benzyl Position-Selective C–H Trifluoromethylation of Six-Membered Heteroaromatic Compounds4 C–H Transformations Leading to the Synthesis of Organic Functional Materials4.1 Heteroatom-Containing π-Conjugated Molecules4.2 π-Conjugated Molecules Containing a Lewis Acid–Base Interaction4.3 Soluble Polyimide Derivatives5 Conclusions

Convergence Problems and Energetic Regions in π Excited States of Certain Conjugated Molecules

1980 ◽  
Vol 35 (10) ◽  
pp. 1006-1012
Author(s):  
Myriam S. de Giambiagi ◽  
Mario Giambiagi ◽  
Henrique G. P. Lins de Barros
Keyword(s):  
Excited States ◽  
Variation Method ◽  
Bond Orders ◽  
Convergence Problem ◽  
Conjugated Molecules ◽  
Particular Solutions ◽  
Convergence Parameter ◽  
Convergence Problems

AbstractWhen calculating π bond orders of excited and superexcited states of conjugated molecules, difficulties arise in applying the variation method; besides, the convergence problems involved are well known. For pyridazine, chosen for discussion, 27 states are considered; the convergence problem is envisaged through two criteria in the choice of a parameter introduced in the compromise Hamiltonian. This convergence parameter is related to the variation method. There exist three particular solutions for bond orders, which divide the 27 states into energetical regions.

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