Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene

Thomas E. Clark; Adam Martin; Mohamed Makha; Alexandre N. Sobolev; Dian Su; Henry W. Rohrs; Michael L. Gross; Colin L. Raston

doi:10.1021/cg1003484

Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene

Thomas E. Clark, Adam Martin, Mohamed Makha, Alexandre N. Sobolev, Dian Su, Henry W. Rohrs, Michael L. Gross, Colin L. Raston

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

15 Citations (Scopus)

Abstract

Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in 57% yield over three steps and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures, the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended three-dimensional packing. Hirshfeld surface analysis shows
extensive O•••H and O•••Ca interactions for the phosphonic acid moieties in both calcium structures. Matrix assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) of the hexaphosphonic acid shows nanoarrays consisting of up to a maximum of 28 calixarene units.

Original language	English
Pages (from-to)	3211-3217
Number of pages	7
Journal	Crystal Growth and Design
Volume	10
Issue number	7
DOIs	https://doi.org/10.1021/cg1003484
Publication status	Published - 2010
Externally published	Yes

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title = "Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene",

abstract = "Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in 57% yield over three steps and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures, the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended three-dimensional packing. Hirshfeld surface analysis showsextensive O•••H and O•••Ca interactions for the phosphonic acid moieties in both calcium structures. Matrix assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) of the hexaphosphonic acid shows nanoarrays consisting of up to a maximum of 28 calixarene units.",

author = "Clark, {Thomas E.} and Adam Martin and Mohamed Makha and Sobolev, {Alexandre N.} and Dian Su and Rohrs, {Henry W.} and Gross, {Michael L.} and Raston, {Colin L.}",

year = "2010",

doi = "10.1021/cg1003484",

language = "English",

volume = "10",

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journal = "Crystal Growth and Design",

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T1 - Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene

AU - Clark, Thomas E.

AU - Martin, Adam

AU - Makha, Mohamed

AU - Sobolev, Alexandre N.

AU - Su, Dian

AU - Rohrs, Henry W.

AU - Gross, Michael L.

AU - Raston, Colin L.

PY - 2010

Y1 - 2010

N2 - Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in 57% yield over three steps and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures, the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended three-dimensional packing. Hirshfeld surface analysis showsextensive O•••H and O•••Ca interactions for the phosphonic acid moieties in both calcium structures. Matrix assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) of the hexaphosphonic acid shows nanoarrays consisting of up to a maximum of 28 calixarene units.

AB - Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in 57% yield over three steps and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures, the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended three-dimensional packing. Hirshfeld surface analysis showsextensive O•••H and O•••Ca interactions for the phosphonic acid moieties in both calcium structures. Matrix assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) of the hexaphosphonic acid shows nanoarrays consisting of up to a maximum of 28 calixarene units.

U2 - 10.1021/cg1003484

DO - 10.1021/cg1003484

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EP - 3217

JO - Crystal Growth and Design

JF - Crystal Growth and Design

IS - 7

ER -

Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene

Abstract

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