Effects of ion-pair structure on relative basicity in chloroform: acid-base equilibria controlled by steric repulsion, .pi.-stacking interactions, and hydrogen bonding within an ion pair

1993 ◽  
Vol 115 (12) ◽  
pp. 5324-5325 ◽  
Author(s):  
Kei Manabe ◽  
Kimio Okamura ◽  
Tadamasa Date ◽  
Kenji Koga
Keyword(s):  
Hydrogen Bonding ◽  
Ion Pair ◽  
Stacking Interactions ◽  
Steric Repulsion ◽  
Acid Base ◽  
Pi Stacking ◽  
Relative Basicity

ChemInform Abstract: Receptors for Oxo Acids: Effects of Intra-Ion-Pair Hydrogen Bonding on Acid-Base Equilibria.

ChemInform ◽  
2010 ◽  
Vol 25 (12) ◽  
pp. no-no
Author(s):  
K. MANABE ◽  
K. OKAMURA ◽  
T. DATE ◽  
K. KOGA
Keyword(s):  
Hydrogen Bonding ◽  
Ion Pair ◽  
Acid Base

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

2001 ◽  
Vol 114 (12) ◽  
pp. 5149-5155 ◽  
Author(s):  
Marcus Elstner ◽  
Pavel Hobza ◽  
Thomas Frauenheim ◽  
Sándor Suhai ◽  
Efthimios Kaxiras
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Nucleic Acid ◽  
Density Functional ◽  
Stacking Interactions ◽  
Acid Base ◽  
Base Pairs ◽  
Functional Theory ◽  
Nucleic Acid Base

Receptors for oxo acids: effects of intra-ion-pair hydrogen bonding on acid-base equilibria

1993 ◽  
Vol 58 (24) ◽  
pp. 6692-6700 ◽  
Author(s):  
Kei Manabe ◽  
Kimio Okamura ◽  
Tadamasa Date ◽  
Kenji Koga
Keyword(s):  
Hydrogen Bonding ◽  
Ion Pair ◽  
Acid Base

The intermolecular anthracene-transfer in a regiospecific antipodal C60 difunctionalization

2020 ◽  
Author(s):  
Radu Talmazan ◽  
Klaus R. Liedl ◽  
Bernhard Kräutler ◽  
Maren Podewitz
Keyword(s):  
Noncovalent Interactions ◽  
Interaction Model ◽  
Alder Reaction ◽  
Diels Alder ◽  
Stacking Interactions ◽  
Pi Stacking ◽  
Diels Alder Reaction ◽  
Double Decker ◽  
Anthracene Molecule ◽  
New Strategies

We analyze the mechanism of the topochemically controlled difunctionalization of C60 and anthracene, where an anthracene molecule is transferred from one C60 monoadduct to another one under exclusive formation of equal amounts of C60 and the difficult to make antipodal C60 bisadduct. Our herein disclosed dispersion corrected DFT studies show the anthracene transfer to take place in a synchronous retro Diels-Alder/Diels-Alder reaction: an anthracene molecule dissociates from one fullerene under formation of an intermediate, while already undergoing stabilizing interactions with both neighboring fullerenes, facilitating the reaction kinetically. In the intermediate, a planar anthracene molecule is sandwiched between two neighboring fullerenes and forms equally strong "double-decker" type pi-pi stacking interactions with both of these fullerenes. Analysis with the distorsion interaction model shows that the anthracene unit of the intermediate is almost planar with minimal distorsions. This analysis sheds light on the existence of noncovalent interactions engaging both faces of a planar polyunsaturated ring and two convex fullerene surfaces in an unprecedented 'inverted sandwich' structure. Hence, it sheds light on new strategies to design functional fullerene based materials.<br>

Acid-base properties of metals and glasses of Na2O.P2O5-xB2O3 system

1984 ◽  
Vol 49 (10) ◽  
pp. 2355-2362 ◽  
Author(s):  
Juraj Leško ◽  
Marie Dorušková ◽  
Jan Tržil
Keyword(s):  
Boron Oxide ◽  
A Priori ◽  
Optical Basicity ◽  
Galvanic Cell ◽  
Acid Base ◽  
Tetrahedral Configuration ◽  
Relative Basicity ◽  
Base Theory ◽  
Base Properties

Boron oxide in the Na2O.P2O5-x B2O3 system behaves as a Lux base. Its addition to Na2O.P2O5 brings about transformation of a Co(II) indicator from octahedral to tetrahedral configuration, increase in the optical basicity ΛPb(II), increase in the relative basicity of the melt as determined by means of a galvanic cell, and depolymerization reactions releasing PO43- ions. In the Na2O-B2O3 system free of P2O5, boron oxide behaves as a Lux acid. The amphoretic nature of B2O3 is explained in terms of Lux's acid-base theory extended in analogy with the protolysis theory. The theoretical optical basicity values do not indicate the amphoretic behaviour of B2O3 because in this approach boron oxide is a priori regarded as more acidic than Na2O.P2O5.

Pressure-Induced Phase Transitions in Ammonium Squarate: A Supramolecular Structure Based on Hydrogen-Bonding and π-Stacking Interactions

2011 ◽  
Vol 115 (29) ◽  
pp. 8981-8988 ◽  
Author(s):  
Shourui Li ◽  
Kai Wang ◽  
Mi Zhou ◽  
Qian Li ◽  
Bingbing Liu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Phase Transitions ◽  
Supramolecular Structure ◽  
Stacking Interactions ◽  
Π Stacking

A computational characterization of the hydrogen-bonding and stacking interactions of hypoxanthine

2007 ◽  
Vol 9 (4) ◽  
pp. 497-509 ◽  
Author(s):  
Lesley R. Rutledge ◽  
Craig A. Wheaton ◽  
Stacey D. Wetmore
Keyword(s):  
Hydrogen Bonding ◽  
Stacking Interactions

scholarly journals Hydrogen bonding to the cysteine ligand of superoxide reductase: acid–base control of the reaction intermediates

2013 ◽  
Vol 18 (7) ◽  
pp. 815-830 ◽  
Author(s):  
Emilie Tremey ◽  
Florence Bonnot ◽  
Yohann Moreau ◽  
Catherine Berthomieu ◽  
Alain Desbois ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Superoxide Reductase ◽  
Reaction Intermediates ◽  
Acid Base
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