Design, synthesis, and structure of novel cesium receptors

Jeffrey C. Bryan; Benjamin P. Hay; Richard A. Sachleben; Cassandra T. Eagle; Cungen Zhang; Peter V. Bonnesen

doi:10.1023/A:1024269812003

Design, synthesis, and structure of novel cesium receptors

Jeffrey C. Bryan, Benjamin P. Hay, Richard A. Sachleben, Cassandra T. Eagle, Cungen Zhang, Peter V. Bonnesen

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

3 Scopus citations

Abstract

The podand, bis(2-methoxyphenoxy)w-xylene (1), was designed and synthesized as a potential host for the cesium ion. Its structure was determined by single crystal X-ray diffraction. It crystallizes in P2 ₁/c with cell dimensions: a = 8.5723(7) Å, b = 8.3931(14) Å, c = 25.2879(26) Å, β = 96.224(9)°, and V = 1808.7(4) Å ³. A crown derivative, tribenzo-21-crown-6 (2), was also prepared and structurally characterized. It also crystallizes in P2 ₁/c with cell dimensions: a = 15.5825(13) Å, b = 15.8648(16) Å, c = 8.8266(7) Å, β = 95.247(6)°, and V = 2172.9(3) Å ³. The structures exhibit hydrogen bonding, and are evaluated in terms of complementarity and preorganization for cesium binding.

Original language	English
Pages (from-to)	349-355
Number of pages	7
Journal	Journal of Chemical Crystallography
Volume	33
Issue number	5-6
DOIs	https://doi.org/10.1023/A:1024269812003
State	Published - Jun 2003

Funding

T. K. Firman in the William R. Wiley Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory under partial sponsorship of Chemical Sciences, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy under Contract No. DE-AC06-76RL01830. The software can be obtained at no charge from the following website: http://hostdesigner.emsl.pnl.gov.

Funders	Funder number
William R. Wiley Environmental Molecular Sciences Laboratory
U.S. Department of Energy	DE-AC06-76RL01830
Office of Science
Basic Energy Sciences
Pacific Northwest National Laboratory

Keywords

Cesium
Conformation
Crown ether
Crystal structure
Design
Synthesis

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10.1023/A:1024269812003

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@article{c859316ac7a043e48fac431f7097bd30,

title = "Design, synthesis, and structure of novel cesium receptors",

abstract = "The podand, bis(2-methoxyphenoxy)w-xylene (1), was designed and synthesized as a potential host for the cesium ion. Its structure was determined by single crystal X-ray diffraction. It crystallizes in P2 1/c with cell dimensions: a = 8.5723(7) {\AA}, b = 8.3931(14) {\AA}, c = 25.2879(26) {\AA}, β = 96.224(9)°, and V = 1808.7(4) {\AA} 3. A crown derivative, tribenzo-21-crown-6 (2), was also prepared and structurally characterized. It also crystallizes in P2 1/c with cell dimensions: a = 15.5825(13) {\AA}, b = 15.8648(16) {\AA}, c = 8.8266(7) {\AA}, β = 95.247(6)°, and V = 2172.9(3) {\AA} 3. The structures exhibit hydrogen bonding, and are evaluated in terms of complementarity and preorganization for cesium binding.",

keywords = "Cesium, Conformation, Crown ether, Crystal structure, Design, Synthesis",

author = "Bryan, {Jeffrey C.} and Hay, {Benjamin P.} and Sachleben, {Richard A.} and Eagle, {Cassandra T.} and Cungen Zhang and Bonnesen, {Peter V.}",

year = "2003",

month = jun,

doi = "10.1023/A:1024269812003",

language = "English",

volume = "33",

pages = "349--355",

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issn = "1074-1542",

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T1 - Design, synthesis, and structure of novel cesium receptors

AU - Bryan, Jeffrey C.

AU - Hay, Benjamin P.

AU - Sachleben, Richard A.

AU - Eagle, Cassandra T.

AU - Zhang, Cungen

AU - Bonnesen, Peter V.

PY - 2003/6

Y1 - 2003/6

N2 - The podand, bis(2-methoxyphenoxy)w-xylene (1), was designed and synthesized as a potential host for the cesium ion. Its structure was determined by single crystal X-ray diffraction. It crystallizes in P2 1/c with cell dimensions: a = 8.5723(7) Å, b = 8.3931(14) Å, c = 25.2879(26) Å, β = 96.224(9)°, and V = 1808.7(4) Å 3. A crown derivative, tribenzo-21-crown-6 (2), was also prepared and structurally characterized. It also crystallizes in P2 1/c with cell dimensions: a = 15.5825(13) Å, b = 15.8648(16) Å, c = 8.8266(7) Å, β = 95.247(6)°, and V = 2172.9(3) Å 3. The structures exhibit hydrogen bonding, and are evaluated in terms of complementarity and preorganization for cesium binding.

AB - The podand, bis(2-methoxyphenoxy)w-xylene (1), was designed and synthesized as a potential host for the cesium ion. Its structure was determined by single crystal X-ray diffraction. It crystallizes in P2 1/c with cell dimensions: a = 8.5723(7) Å, b = 8.3931(14) Å, c = 25.2879(26) Å, β = 96.224(9)°, and V = 1808.7(4) Å 3. A crown derivative, tribenzo-21-crown-6 (2), was also prepared and structurally characterized. It also crystallizes in P2 1/c with cell dimensions: a = 15.5825(13) Å, b = 15.8648(16) Å, c = 8.8266(7) Å, β = 95.247(6)°, and V = 2172.9(3) Å 3. The structures exhibit hydrogen bonding, and are evaluated in terms of complementarity and preorganization for cesium binding.

KW - Cesium

KW - Conformation

KW - Crown ether

KW - Crystal structure

KW - Design

KW - Synthesis

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U2 - 10.1023/A:1024269812003

DO - 10.1023/A:1024269812003

M3 - Article

AN - SCOPUS:0037786735

SN - 1074-1542

VL - 33

SP - 349

EP - 355

JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

IS - 5-6

ER -

Design, synthesis, and structure of novel cesium receptors

Abstract

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Keywords

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