Structural design criteria for anion hosts: Strategies for achieving anion shape recognition through the complementary placement of urea donor groups

Benjamin P. Hay; Timothy K. Firman; Bruce A. Moyer

doi:10.1021/ja043995k

Structural design criteria for anion hosts: Strategies for achieving anion shape recognition through the complementary placement of urea donor groups

Benjamin P. Hay, Timothy K. Firman, Bruce A. Moyer

Chemical Separations Group

Research output: Contribution to journal › Article › peer-review

243 Scopus citations

Abstract

The arrangement of urea ligands about different shaped anions has been evaluated with electronic structure calculations. Geometries and binding energies are reported for urea complexes with Cl^-, NO ₃^-, and ClO₄^-. The results yield new insight into the nature of urea-anion interactions and provide structural criteria for the deliberate design of anion selective receptors containing two or more urea donor groups.

Original language	English
Pages (from-to)	1810-1819
Number of pages	10
Journal	Journal of the American Chemical Society
Volume	127
Issue number	6
DOIs	https://doi.org/10.1021/ja043995k
State	Published - Feb 16 2005

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title = "Structural design criteria for anion hosts: Strategies for achieving anion shape recognition through the complementary placement of urea donor groups",

abstract = "The arrangement of urea ligands about different shaped anions has been evaluated with electronic structure calculations. Geometries and binding energies are reported for urea complexes with Cl-, NO 3-, and ClO4-. The results yield new insight into the nature of urea-anion interactions and provide structural criteria for the deliberate design of anion selective receptors containing two or more urea donor groups.",

author = "Hay, {Benjamin P.} and Firman, {Timothy K.} and Moyer, {Bruce A.}",

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AU - Firman, Timothy K.

AU - Moyer, Bruce A.

PY - 2005/2/16

Y1 - 2005/2/16

N2 - The arrangement of urea ligands about different shaped anions has been evaluated with electronic structure calculations. Geometries and binding energies are reported for urea complexes with Cl-, NO 3-, and ClO4-. The results yield new insight into the nature of urea-anion interactions and provide structural criteria for the deliberate design of anion selective receptors containing two or more urea donor groups.

AB - The arrangement of urea ligands about different shaped anions has been evaluated with electronic structure calculations. Geometries and binding energies are reported for urea complexes with Cl-, NO 3-, and ClO4-. The results yield new insight into the nature of urea-anion interactions and provide structural criteria for the deliberate design of anion selective receptors containing two or more urea donor groups.

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JF - Journal of the American Chemical Society

IS - 6

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Structural design criteria for anion hosts: Strategies for achieving anion shape recognition through the complementary placement of urea donor groups

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