Multiple-pathways of carbon dioxide binding by a Lewis acid [B(C6F5)3] and a lewis base [P(tBu)3]: The energy landscape perspective

2013 ◽  
Vol 114 (4) ◽  
pp. 289-294 ◽  
Author(s):  
Maoping Pu ◽  
Timofei Privalov
Keyword(s):  
Carbon Dioxide ◽  
Lewis Acid ◽  
Energy Landscape ◽  
Lewis Base

Lewis Acid-Mediated Carboxylation of Aryl- and Allylsilanes with Carbon Dioxide

2003 ◽  
Vol 32 (5) ◽  
pp. 454-455 ◽  
Author(s):  
Tetsutaro Hattori ◽  
Yutaka Suzuki ◽  
Sotaro Miyano
Keyword(s):  
Carbon Dioxide ◽  
Lewis Acid

The structure and activity of potassium supported on SBA-15 molecular sieve: Density functional theory study

2014 ◽  
Vol 13 (01) ◽  
pp. 1350076 ◽  
Author(s):  
Bing Liu ◽  
Daxi Wang ◽  
Zhongxue Wang ◽  
Zhen Zhao ◽  
Yu Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Lewis Acid ◽  
Molecular Sieve ◽  
Active Sites ◽  
Density Functional ◽  
Structural Model ◽  
Vibrational Frequencies ◽  
Oxygen Molecule ◽  
Lewis Base ◽  
Functional Theory

The geometries, vibrational frequencies, electronic properties and reactivity of potassium supported on SBA-15 have been theoretically investigated by the density functional theory (DFT) method. The structural model of the potassium supported on SBA-15 was constructed based on our previous work [Wang ZX, Wang DX, Zhao Z, Chen Y, Lan J, A DFT study of the structural units in SBA-15 mesoporous molecular sieve, Comput. Theor. Chem.963, 403, 2011]. This paper is the extension of our previous work. The most favored location of potassium atom was obtained by the calculation of substitution energy. The calculated vibrational frequencies of K /SBA-15 are in good agreement with the experimental results. By analyzing the properties of electronic structure, we found that the O atom of Si - O (2)- K group acts as the Lewis base center and the K atom acts as the Lewis acid center. The reactivity of K /SBA-15 was investigated by calculating the activation of oxygen molecule. The oxygen molecule can be activated by K /SBA-15 with an energy barrier of 103.2 kJ/mol. In the final state, the activated oxygen atoms become new Lewis acid centers, which are predicted to act as the active sites in the catalytic reactions. This study provides a deep insight into the properties of supported potassium catalysts and offers fundamental information for further research.

Erratum to “Synthesis and structure of potential Lewis acid–Lewis base bifunctional catalysts: 2-N,N-diisopropylaminobenzylboronate derivatives” [J. Organomet. Chem. 690 (2005) 4784–4793]

2006 ◽  
Vol 691 (3) ◽  
pp. 538
Author(s):  
Samuel W. Coghlan ◽  
Richard L. Giles ◽  
Judith A.K. Howard ◽  
Leonard G.F. Patrick ◽  
Michael R. Probert ◽  
...  
Keyword(s):  
Lewis Acid ◽  
Lewis Base ◽  
Bifunctional Catalysts

Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds

2013 ◽  
Vol 135 (40) ◽  
pp. 15225-15237 ◽  
Author(s):  
KaKing Yan ◽  
Juan J. Duchimaza Heredia ◽  
Arkady Ellern ◽  
Mark S. Gordon ◽  
Aaron D. Sadow
Keyword(s):  
Lewis Acid ◽  
Lewis Base ◽  
Insertion Reactions ◽  
Zirconium Compounds

scholarly journals Lewis acid- and/or Lewis base-catalyzed [3+2] cycloaddition reaction: synthesis of pyrazoles and pyrazolines

2008 ◽  
Vol 49 (48) ◽  
pp. 6768-6772 ◽  
Author(s):  
Palakodety Radha Krishna ◽  
Empati Raja Sekhar ◽  
Florence Mongin
Keyword(s):  
Lewis Acid ◽  
Cycloaddition Reaction ◽  
Lewis Base ◽  
Reaction Synthesis

Empirical Lewis acid strengths for 135 cations bonded to oxygen

2017 ◽  
Vol 73 (5) ◽  
pp. 956-961 ◽  
Author(s):  
Olivier Charles Gagné ◽  
Frank Christopher Hawthorne
Keyword(s):  
Lewis Acid ◽  
Strong Correlation ◽  
Ionization Energy ◽  
Acid Strength ◽  
Lewis Base

New and updated Lewis acid strengths are listed for 135 cations bonded to oxygen for use with published Lewis base strengths. A strong correlation between Lewis acid strength and ionization energy is shown, and correlation with electronegativity is confirmed.

scholarly journals Lewis Base Activation of Lewis Acid: A Detailed Bond Analysis

ACS Omega ◽  
2018 ◽  
Vol 3 (11) ◽  
pp. 16292-16300 ◽  
Author(s):  
Gianluca Ciancaleoni
Keyword(s):  
Lewis Acid ◽  
Lewis Base
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