1H and 15N chemical shifts of adsorbed acetonitrile as measures to probe the Brønsted acid strength of solid acids: A DFT study

2010 ◽  
Vol 326 (1-2) ◽  
pp. 88-93 ◽  
Author(s):  
Delian Yi ◽  
Hailu Zhang ◽  
Zongwu Deng
Keyword(s):  
Chemical Shifts ◽  
Solid Acids ◽  
Acid Strength ◽  
Dft Study ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid

Relationship Between1H Chemical Shifts of Deuterated Pyridinium Ions and Brønsted Acid Strength of Solid Acids

2007 ◽  
Vol 111 (12) ◽  
pp. 3085-3089 ◽  
Author(s):  
Anmin Zheng ◽  
Hailu Zhang ◽  
Lei Chen ◽  
Yong Yue ◽  
Chaohui Ye ◽  
...  
Keyword(s):  
Chemical Shifts ◽  
Solid Acids ◽  
Acid Strength ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid ◽  
Pyridinium Ions

Chiral Brønsted acid-catalyzed hydrophosphonylation of imines—DFT study on the effect of substituents of phosphoric acid

Tetrahedron ◽  
2009 ◽  
Vol 65 (26) ◽  
pp. 4950-4956 ◽  
Author(s):  
Takahiko Akiyama ◽  
Hisashi Morita ◽  
Prabhakar Bachu ◽  
Keiji Mori ◽  
Masahiro Yamanaka ◽  
...  
Keyword(s):  
Phosphoric Acid ◽  
Dft Study ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Effect Of Substituents ◽  
Brönsted Acid ◽  
Acid Catalyzed ◽  
Chiral Bronsted Acid

Correlation between Brønsted Acid Strength and Local Structure in Zeolites

2009 ◽  
Vol 113 (44) ◽  
pp. 19208-19217 ◽  
Author(s):  
Naonobu Katada ◽  
Katsuki Suzuki ◽  
Takayuki Noda ◽  
German Sastre ◽  
Miki Niwa
Keyword(s):  
Local Structure ◽  
Acid Strength ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid

An ONIOM study of the distribution of skeletal aluminum and Brønsted acidity in ZSM-48 zeolite

2014 ◽  
Vol 13 (02) ◽  
pp. 1450019 ◽  
Author(s):  
Rui Liu ◽  
Jie Zhang ◽  
Xiuliang Sun ◽  
Chongpin Huang ◽  
Biaohua Chen
Keyword(s):  
Density Functional ◽  
Acid Sites ◽  
Acid Strength ◽  
Molar Ratio ◽  
Am1 Method ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Al Substitution ◽  
Brönsted Acid ◽  
Stretching Vibration

A density functional theory (DFT) study was performed on distribution of skeletal aluminum and Brønsted acid (B-acid) sites as well as the acid strength in ZSM-48 zeolite. The correlation between Si / Al molar ratio and the general acid strength was also investigated. The calculations were performed based on 51T and 90T cluster models by using two-layered ONIOM schemes (B3LYP/6-31G (d,p): AM1) method. The former 51T cluster is used for the calculation of single- Al substitution and the latter is for the multi- Al substitution study. The properties of Si / Al substitution energy, deprotonation energy, bridging hydroxyl stretching vibration frequency and adsorption energy for the probe molecule were calculated and used to measure Brønsted acid location and strength. As the result shows, T2 is the most readily to be replaced by Al and the Brønsted acids prefer to be formed at Al 2– O 7– Si 3 site. Al 2– O 6– Si 2 is the highest in Brønsted acid strength. Besides, the acid strength weakens with the decrease of Si / Al .

Understanding the stereoselectivity in Brønsted acid catalysed Povarov reactions generating cis/trans CF3-substituted tetrahydroquinolines: a DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (21) ◽  
pp. 17064-17073 ◽  
Author(s):  
Luis R. Domingo ◽  
Mar Ríos-Gutiérrez ◽  
Saeedreza Emamian
Keyword(s):  
Dft Study ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid

Stereochemistry in the Brønsted acid catalysed Povarov reactions.

Quantitative Measurement of the Brönsted Acid Sites in Solid Acids:  Toward a Single-Site Design of Mo-Modified ZSM-5 Zeolite

2006 ◽  
Vol 110 (21) ◽  
pp. 10390-10395 ◽  
Author(s):  
Jean-Philippe Tessonnier ◽  
Benoît Louis ◽  
Stephane Walspurger ◽  
Jean Sommer ◽  
Marc-Jacques Ledoux ◽  
...  
Keyword(s):  
Quantitative Measurement ◽  
Acid Sites ◽  
Solid Acids ◽  
Single Site ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brønsted Acid Sites ◽  
Brönsted Acid ◽  
Site Design ◽  
Brönsted Acid Sites

Use of pyridine as a probe for the determination, by IR spectroscopy, of the Brønsted acid strength of MIHNaY zeolites

1996 ◽  
Vol 92 (7) ◽  
pp. 1263-1266 ◽  
Author(s):  
Jean-Claude Lavalley ◽  
Rodolphe Anquetil ◽  
Jolanta Czyzniewska ◽  
Maria Ziolek
Keyword(s):  
Ir Spectroscopy ◽  
Acid Strength ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid

Tuning Brønsted Acid Strength by Altering Site Proximity in CHA Framework Zeolites

ACS Catalysis ◽  
2018 ◽  
Vol 8 (9) ◽  
pp. 7842-7860 ◽  
Author(s):  
Steven Nystrom ◽  
Alexander Hoffman ◽  
David Hibbitts
Keyword(s):  
Acid Strength ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid
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