Triplet Excimer Formation in Platinum-Based Phosphors: A Theoretical Study of the Roles of Pt−Pt Bimetallic Interactions and Interligand π−π Interactions

2009 ◽  
Vol 131 (32) ◽  
pp. 11371-11380 ◽  
Author(s):  
Dongwook Kim ◽  
Jean-Luc Brédas
Keyword(s):  
Theoretical Study ◽  
Π Interactions ◽  
Excimer Formation ◽  
Triplet Excimer

“Fast” triplet excimer formation in fluid solutions of dinaphthylalkanes

1981 ◽  
Vol 77 (2) ◽  
pp. 294-298 ◽  
Author(s):  
D. Webster ◽  
J.F. Baugher ◽  
Bee T. Lim ◽  
E.C. Lim
Keyword(s):  
Excimer Formation ◽  
Triplet Excimer

A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts

2007 ◽  
Vol 2007 (35) ◽  
pp. 5821-5825 ◽  
Author(s):  
Angel Garcia-Raso ◽  
Francisca M. Albertí ◽  
Juan J. Fiol ◽  
Andrés Tasada ◽  
Miquel Barceló-Oliver ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Π Interactions

A theoretical study of complexes formed between cations and curved aromatic systems: electrostatics does not always control cation–π interaction

2017 ◽  
Vol 19 (16) ◽  
pp. 10543-10553 ◽  
Author(s):  
Jorge A. Carrazana-García ◽  
Enrique M. Cabaleiro-Lago ◽  
Jesús Rodríguez-Otero
Keyword(s):  
Theoretical Study ◽  
Π Interactions ◽  
Aromatic Systems

Cation–π interactions in curved aromatic systems are not controlled by electrostatics; induction and dispersion dominate in most cases studied.

Mutual Influence between Halogen Bonds and Cation-π Interactions: A Theoretical Study

ChemPhysChem ◽  
2012 ◽  
Vol 13 (8) ◽  
pp. 2154-2161 ◽  
Author(s):  
Yunxiang Lu ◽  
Yingtao Liu ◽  
Haiying Li ◽  
Xiang Zhu ◽  
Honglai Liu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Mutual Influence ◽  
Halogen Bonds ◽  
Π Interactions

scholarly journals Can lone pair-π and cation-π interactions coexist? A theoretical study

2011 ◽  
Vol 9 (1) ◽  
pp. 25-34 ◽  
Author(s):  
Carolina Estarellas ◽  
Antonio Frontera ◽  
David Quiñonero ◽  
Pere Deyà
Keyword(s):  
Interaction Potential ◽  
Theoretical Study ◽  
Noncovalent Interactions ◽  
Lone Pair ◽  
Geometric Features ◽  
Aromatic Rings ◽  
Partition Scheme ◽  
Π Interactions ◽  
Cooperativity Effects ◽  
Structural Database

AbstractThe interplay between two important noncovalent interactions involving different aromatic rings is studied by means of ab initio calculations (MP2/6-31++G**) computing the non-additivity energies. In this study we demonstrate the existence of cooperativity effects when cation-π and lone pair-π interactions coexist in the same system. These effects are studied theoretically using energetic and geometric features of the complexes. In addition we use Bader’s theory of atoms-in-molecules and Molecular Interaction Potential with polarization (MIPp) partition scheme to characterize the interactions. Experimental evidence for this combination of interactions has been obtained from the Cambridge Structural Database.

Sign in / Sign up

Export Citation Format

Share Document