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The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition

Research output: Contribution to Journal/MagazineJournal articlepeer-review

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The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition. / Phillips, Hazel I. A.; Chernikov, Aleksey V.; Fletcher, Nicholas C. et al.

In: Chemistry - A European Journal, Vol. 18, No. 43, 22.10.2012, p. 13733-13742.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Phillips, HIA, Chernikov, AV, Fletcher, NC, Ashcroft, AE, Ault, JR, Filby, MH & Wilson, AJ 2012, 'The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition', Chemistry - A European Journal, vol. 18, no. 43, pp. 13733-13742. https://doi.org/10.1002/chem.201201302

APA

Phillips, H. I. A., Chernikov, A. V., Fletcher, N. C., Ashcroft, A. E., Ault, J. R., Filby, M. H., & Wilson, A. J. (2012). The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition. Chemistry - A European Journal, 18(43), 13733-13742. https://doi.org/10.1002/chem.201201302

Vancouver

Phillips HIA, Chernikov AV, Fletcher NC, Ashcroft AE, Ault JR, Filby MH et al. The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition. Chemistry - A European Journal. 2012 Oct 22;18(43):13733-13742. Epub 2012 Sep 20. doi: 10.1002/chem.201201302

Author

Phillips, Hazel I. A. ; Chernikov, Aleksey V. ; Fletcher, Nicholas C. et al. / The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition. In: Chemistry - A European Journal. 2012 ; Vol. 18, No. 43. pp. 13733-13742.

Bibtex

@article{f2c4de839bc945c3b43efeeda280d75e,
title = "The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition",
abstract = "The composition of a dynamic mixture of similar 2,2'-bipyridine complexes of iron(II) bearing either an amide (5-benzylamido-2,2'-bipyridine and 5-(2-methoxyethane)amido-2,2'-bipyridine) or an ester (2,2'-bipyridine-5-carboxylic acid benzylester and 2,2'-bipyridine-5-carboxylic acid 2-methoxyethane ester) side chain have been evaluated by electrospray mass spectroscopy in acetonitrile. The time taken for the complexes to come to equilibrium appears to be dependent on the counteranion, with chloride causing a rapid redistribution of two preformed heteroleptic complexes (of the order of 1 hour), whereas the time it takes in the presence of tetrafluoroborate salts is in excess of 24 h. Similarly the final distribution of products is dependent on the anion present, with the presence of chloride, and to a lesser extent bromide, preferring three amide-functionalized ligands, and a slight preference for an appended benzyl over a methoxyethyl group. Furthermore, for the first time, this study shows that the distribution of a dynamic library of metal complexes monitored by ESI-MS can adapt following the introduction of a different anion, in this case tetrabutylammonium chloride to give the most favoured heteroleptic complex despite the increasing ionic strength of the solution.",
keywords = "2, 2'-bipyridine, anion recognition, combinatorial chemistry, iron, mass spectrometry, BIPYRIDYL RECEPTOR MOLECULES, TRIPLE-HELICAL ARRAY, TRANSITION-METAL, GAS-PHASE, PROTEIN-SURFACE, COMPLEXES, CHEMISTRY, RUTHENIUM(II), BINDING, LIGANDS",
author = "Phillips, {Hazel I. A.} and Chernikov, {Aleksey V.} and Fletcher, {Nicholas C.} and Ashcroft, {Alison E.} and Ault, {James R.} and Filby, {Maria H.} and Wilson, {Andrew J.}",
year = "2012",
month = oct,
day = "22",
doi = "10.1002/chem.201201302",
language = "English",
volume = "18",
pages = "13733--13742",
journal = "Chemistry - A European Journal",
issn = "0947-6539",
publisher = "Wiley-VCH Verlag",
number = "43",

}

RIS

TY - JOUR

T1 - The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition

AU - Phillips, Hazel I. A.

AU - Chernikov, Aleksey V.

AU - Fletcher, Nicholas C.

AU - Ashcroft, Alison E.

AU - Ault, James R.

AU - Filby, Maria H.

AU - Wilson, Andrew J.

PY - 2012/10/22

Y1 - 2012/10/22

N2 - The composition of a dynamic mixture of similar 2,2'-bipyridine complexes of iron(II) bearing either an amide (5-benzylamido-2,2'-bipyridine and 5-(2-methoxyethane)amido-2,2'-bipyridine) or an ester (2,2'-bipyridine-5-carboxylic acid benzylester and 2,2'-bipyridine-5-carboxylic acid 2-methoxyethane ester) side chain have been evaluated by electrospray mass spectroscopy in acetonitrile. The time taken for the complexes to come to equilibrium appears to be dependent on the counteranion, with chloride causing a rapid redistribution of two preformed heteroleptic complexes (of the order of 1 hour), whereas the time it takes in the presence of tetrafluoroborate salts is in excess of 24 h. Similarly the final distribution of products is dependent on the anion present, with the presence of chloride, and to a lesser extent bromide, preferring three amide-functionalized ligands, and a slight preference for an appended benzyl over a methoxyethyl group. Furthermore, for the first time, this study shows that the distribution of a dynamic library of metal complexes monitored by ESI-MS can adapt following the introduction of a different anion, in this case tetrabutylammonium chloride to give the most favoured heteroleptic complex despite the increasing ionic strength of the solution.

AB - The composition of a dynamic mixture of similar 2,2'-bipyridine complexes of iron(II) bearing either an amide (5-benzylamido-2,2'-bipyridine and 5-(2-methoxyethane)amido-2,2'-bipyridine) or an ester (2,2'-bipyridine-5-carboxylic acid benzylester and 2,2'-bipyridine-5-carboxylic acid 2-methoxyethane ester) side chain have been evaluated by electrospray mass spectroscopy in acetonitrile. The time taken for the complexes to come to equilibrium appears to be dependent on the counteranion, with chloride causing a rapid redistribution of two preformed heteroleptic complexes (of the order of 1 hour), whereas the time it takes in the presence of tetrafluoroborate salts is in excess of 24 h. Similarly the final distribution of products is dependent on the anion present, with the presence of chloride, and to a lesser extent bromide, preferring three amide-functionalized ligands, and a slight preference for an appended benzyl over a methoxyethyl group. Furthermore, for the first time, this study shows that the distribution of a dynamic library of metal complexes monitored by ESI-MS can adapt following the introduction of a different anion, in this case tetrabutylammonium chloride to give the most favoured heteroleptic complex despite the increasing ionic strength of the solution.

KW - 2

KW - 2'-bipyridine

KW - anion recognition

KW - combinatorial chemistry

KW - iron

KW - mass spectrometry

KW - BIPYRIDYL RECEPTOR MOLECULES

KW - TRIPLE-HELICAL ARRAY

KW - TRANSITION-METAL

KW - GAS-PHASE

KW - PROTEIN-SURFACE

KW - COMPLEXES

KW - CHEMISTRY

KW - RUTHENIUM(II)

KW - BINDING

KW - LIGANDS

U2 - 10.1002/chem.201201302

DO - 10.1002/chem.201201302

M3 - Journal article

VL - 18

SP - 13733

EP - 13742

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

SN - 0947-6539

IS - 43

ER -