Solvent Modulation of Aromatic Substituent Effects in Molecular Balances Controlled by CH−π Interactions

2018 ◽  
Vol 122 (4) ◽  
pp. 909-915 ◽  
Author(s):  
Bright U. Emenike ◽  
Ronald A. Spinelle ◽  
Ambar Rosario ◽  
David W. Shinn ◽  
Barney Yoo
Keyword(s):  
Substituent Effects ◽  
Aromatic Substituent ◽  
Π Interactions

scholarly journals Ring Structure and Aromatic Substituent Effects on the pKa of the Benzoxaborole Pharmacophore

2011 ◽  
Vol 3 (1) ◽  
pp. 48-52 ◽  
Author(s):  
John W. Tomsho ◽  
Arnab Pal ◽  
Dennis G. Hall ◽  
Stephen J. Benkovic
Keyword(s):  
Substituent Effects ◽  
Ring Structure ◽  
Aromatic Substituent

Quantification of CH⋅⋅⋅π Interactions: Implications on How Substituent Effects Influence Aromatic Interactions

2010 ◽  
Vol 16 (41) ◽  
pp. 12357-12362 ◽  
Author(s):  
Benjamin W. Gung ◽  
Bright U. Emenike ◽  
Michael Lewis ◽  
Kristin Kirschbaum
Keyword(s):  
Substituent Effects ◽  
Π Interactions ◽  
Aromatic Interactions

Physical Nature of Substituent Effects in XH/π Interactions

2012 ◽  
Vol 8 (9) ◽  
pp. 3167-3174 ◽  
Author(s):  
Jacob W. G. Bloom ◽  
Rajesh K. Raju ◽  
Steven E. Wheeler
Keyword(s):  
Substituent Effects ◽  
Physical Nature ◽  
Π Interactions

Substituent effects in naphthalene. II. The strengths of the 4, 5, 6, 7, and 8-substituted 2-naphthoic acids

1965 ◽  
Vol 18 (9) ◽  
pp. 1365 ◽  
Author(s):  
PR Wells ◽  
W Adcock
Keyword(s):  
Electrostatic Interactions ◽  
Aqueous Ethanol ◽  
Substituent Effects ◽  
Simple Expression ◽  
Dipole Orientation ◽  
Aromatic Substituent ◽  
Resonance Effects ◽  
Naphthoic Acid ◽  
Inductive Effects ◽  
Substituted 1

The apparent pKa values of 44 substituted 2-naphthoic acids, six substituted 1-naphthoic acids, and the unsubstituted naphthoic acids have been determined for 50% v/v aqueous ethanol at 25�. The ΔpK values are examined in terms of Dewar and Grisdale's simple expression for aromatic substituent effects. This expression proves to be fairly satisfactory, but takes no account of substituent dipole orientation, secondary resonance effects, nor π-inductive effects. A survey of the naphthoic acid strengths demonstrates the importance of these factors. In particular, unambiguous evidence for the important role played by direct electrostatic interactions is obtained.

Tunable Fictitious Substituent Effects on the π–π Interactions of Substituted Sandwich Benzene Dimers

2014 ◽  
Vol 118 (18) ◽  
pp. 3344-3350 ◽  
Author(s):  
Amee M. Garcia ◽  
John J. Determan ◽  
Benjamin G. Janesko
Keyword(s):  
Substituent Effects ◽  
Π Interactions

NMR characterization of substituent effects in cation–π interactions

2012 ◽  
Vol 523 ◽  
pp. 11-14 ◽  
Author(s):  
Fareed Bhasha Sayyed ◽  
Cherumuttathu H. Suresh
Keyword(s):  
Substituent Effects ◽  
Π Interactions ◽  
Nmr Characterization

Substituent Effects in π−π Interactions:  Sandwich and T-Shaped Configurations

2004 ◽  
Vol 126 (24) ◽  
pp. 7690-7697 ◽  
Author(s):  
Mutasem Omar Sinnokrot ◽  
C. David Sherrill
Keyword(s):  
Substituent Effects ◽  
Π Interactions
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