scholarly journals Computational and Experimental Evidence of Emergent Equilibrium Isotope Effects in Anion Receptor Complexes

2017 ◽  
Vol 139 (11) ◽  
pp. 3962-3965 ◽  
Author(s):  
Blakely W. Tresca ◽  
Alexander C. Brueckner ◽  
Michael M. Haley ◽  
Paul H.-Y. Cheong ◽  
Darren W. Johnson
Keyword(s):  
Experimental Evidence ◽  
Isotope Effects ◽  
Anion Receptor ◽  
Receptor Complexes

scholarly journals Structural systematics of anion–receptor complexes: insights from electron-density distributions

2013 ◽  
Vol 69 (a1) ◽  
pp. s418-s418
Author(s):  
Isabelle L. Kirby ◽  
Mark Brightwell ◽  
Mateusz B. Pitak ◽  
Hazel A. Sparkes ◽  
Marco Wenzel ◽  
...  
Keyword(s):  
Electron Density ◽  
Anion Receptor ◽  
Density Distributions ◽  
Receptor Complexes

scholarly journals Systematic experimental charge density analysis of anion receptor complexes

2014 ◽  
Vol 16 (22) ◽  
pp. 10943-10958 ◽  
Author(s):  
Isabelle L. Kirby ◽  
Mark Brightwell ◽  
Mateusz B. Pitak ◽  
Claire Wilson ◽  
Simon J. Coles ◽  
...  
Keyword(s):  
Solid State ◽  
Charge Density ◽  
Anion Receptor ◽  
Binding Strength ◽  
Receptor Complexes ◽  
Density Analysis ◽  
Basic Anion ◽  
Experimental Charge Density ◽  
Resolution Study

The first systematic electronic resolution study of a series of urea-based anion receptor complexes is presented and shows the binding strength to be greater for more basic anion–receptor pairs in the solid state.

scholarly journals Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular12C/13C Kinetic Isotope Effects

2010 ◽  
Vol 132 (36) ◽  
pp. 12548-12549 ◽  
Author(s):  
Ollie M. Gonzalez-James ◽  
Xue Zhang ◽  
Ayan Datta ◽  
David A. Hrovat ◽  
Weston Thatcher Borden ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Ring Opening ◽  
Isotope Effects ◽  
Heavy Atom ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope

Intramolecular and Intermolecular Kinetic Isotope Effects (KIE) in the Nitrosoarene Ene Reaction:  Experimental Evidence for Reversible Intermediate Formation

2003 ◽  
Vol 68 (6) ◽  
pp. 2420-2425 ◽  
Author(s):  
Waldemar Adam ◽  
Oliver Krebs ◽  
Michael Orfanopoulos ◽  
Manolis Stratakis ◽  
Georgios C. Vougioukalakis
Keyword(s):  
Experimental Evidence ◽  
Isotope Effects ◽  
Intermediate Formation ◽  
Kinetic Isotope Effects ◽  
Ene Reaction ◽  
Kinetic Isotope

scholarly journals Reversible Intercalation of Fluoride-Anion Receptor Complexes in Graphite

2007 ◽  
Vol 154 (10) ◽  
pp. A929 ◽  
Author(s):  
William C. West ◽  
Jay F. Whitacre ◽  
Nicole Leifer ◽  
Steve Greenbaum ◽  
Marshall Smart ◽  
...  
Keyword(s):  
Fluoride Anion ◽  
Anion Receptor ◽  
Receptor Complexes

The Preparation and Acetolyses of 5-Deuteriated exo-2-Norbornyl-p-bromobenzenesulfonates

1972 ◽  
Vol 50 (5) ◽  
pp. 618-626 ◽  
Author(s):  
N. H. Werstiuk ◽  
R. R. MacDonald ◽  
R. W. Ouwehand ◽  
W. L. Chan ◽  
F. P. Cappelli ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Isotope Effect ◽  
Isotope Effects ◽  
Deuterium Isotope Effect ◽  
Hydrogen Deuterium ◽  
Deuterium Isotope Effects

The deuterionorborneols 2a, b, c, and e have been prepared and converted to the brosylates 1a, b, c, and e. The deuterium isotope effects determined spectrophotometrically for solvolysis in HOAc–KOAc are 1.00 ± 0.01, 1.01 ± 0.01, 0.99 ± 0.01, and 1.11 ± 0.01, respectively. These data establish that: (a) a steric deuterium isotope effect does not operate at C-5 and therefore probably not at C-6; (b) hyperconjugative stabilization of the norbornonium ion to the C-5 hydrogens is confirmed to be not important, and (c) provides the first experimental evidence that the hydrogen (deuterium) shift – internal return pathway contribution to the γ-deuterium isotope effects observed for 1d and e is minor.

scholarly journals Structural systematics of anion–receptor complexes: insights from electron-density distributions

2013 ◽  
Vol 69 (a1) ◽  
pp. s93-s93
Author(s):  
Isabelle L. Kirby ◽  
Mark Brightwell ◽  
Mateusz B. Pitak ◽  
Hazel A. Sparkes ◽  
Marco Wenzel ◽  
...  
Keyword(s):  
Electron Density ◽  
Anion Receptor ◽  
Density Distributions ◽  
Receptor Complexes

scholarly journals Deuterium equilibrium isotope effects in a supramolecular receptor for the hydrochalcogenide and halide anions

RSC Advances ◽  
2021 ◽  
Vol 11 (43) ◽  
pp. 26581-26585
Author(s):  
Hazel A. Fargher ◽  
Russell A. Nickels ◽  
Thaís P. de Faria ◽  
Michael M. Haley ◽  
Michael D. Pluth ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Isotope Effects ◽  
Anion Receptor ◽  
Hydrogen Bond Donor ◽  
Halide Anions ◽  
Convenient Synthesis

We highlight a convenient synthesis to selectively deuterate an aryl C–H hydrogen bond donor in a supramolecular anion receptor and use competitive titrations to study the deuterium equilibrium isotope effects (DEIE) in binding HS−, Cl−, and Br−.

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