A Density Functional Study of Ion-Pair Formation and Dissociation in the Reaction between Boron- and Aluminum-Based Lewis Acids with (1,2-Me2Cp)2ZrMe2

2000 ◽  
Vol 19 (10) ◽  
pp. 1841-1849 ◽  
Author(s):  
Kumar Vanka ◽  
Mary S. W. Chan ◽  
Cory C. Pye ◽  
Tom Ziegler
Keyword(s):  
Lewis Acids ◽  
Density Functional ◽  
Ion Pair ◽  
Pair Formation ◽  
Functional Study ◽  
Density Functional Study ◽  
Ion Pair Formation

scholarly journals Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

2013 ◽  
Vol 1038 ◽  
pp. 12-18 ◽  
Author(s):  
James X. Mao ◽  
Anita S. Lee ◽  
John R. Kitchin ◽  
Hunaid B. Nulwala ◽  
David R. Luebke ◽  
...  
Keyword(s):  
Density Functional ◽  
Ion Pair ◽  
Functional Study ◽  
Density Functional Study

Mechanisms for dehydrogenation and hydrogenation of N-heterocycles using PNP-pincer-supported iron catalysts: a density functional study

2016 ◽  
Vol 45 (38) ◽  
pp. 14965-14978 ◽  
Author(s):  
Boodsarin Sawatlon ◽  
Panida Surawatanawong
Keyword(s):  
Hydrogen Bonding ◽  
Density Functional ◽  
Ion Pair ◽  
Iron Catalysts ◽  
Functional Study ◽  
Density Functional Study ◽  
Agostic Interaction ◽  
Supported Iron

The bifunctionality of Fe-PNP plays a role in stabilizing the ion-pair complex in the dehydrogenation via a hydrogen bonding and a C–H agostic interaction.

Density Functional Study of Complexes between Lewis Acids and Bases

1995 ◽  
Vol 99 (17) ◽  
pp. 6472-6476 ◽  
Author(s):  
Vicenc Branchadell ◽  
Abdelouahid Sbai ◽  
Antonio Oliva
Keyword(s):  
Lewis Acids ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Acids And Bases ◽  
Lewis Acids And Bases

Ab initio Models for Six-Center Multiple Proton Exchange and Ion Pair Formation Assisted by Lewis Acids

2000 ◽  
Vol 6 (9) ◽  
pp. 563-574 ◽  
Author(s):  
Nicolaas J. R. van Eikema Hommes ◽  
Dietmar Heidrich ◽  
Paul von Ragu� Schleyer
Keyword(s):  
Ab Initio ◽  
Lewis Acids ◽  
Ion Pair ◽  
Pair Formation ◽  
Proton Exchange ◽  
Ion Pair Formation ◽  
Ab Initio Models
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