Crystallography aided by atomic core-level binding energies: Proton transfer versus hydrogen bonding in organic crystal structures

Joanna S. Stevens; Stephen J. Byard; Colin C. Seaton; Ghazala Sadiq; Roger J. Davey; Sven L M Schroeder

doi:10.1002/anie.201103981

Crystallography aided by atomic core-level binding energies: Proton transfer versus hydrogen bonding in organic crystal structures

Joanna S. Stevens, Stephen J. Byard, Colin C. Seaton, Ghazala Sadiq, Roger J. Davey, Sven L M Schroeder

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

Abstract

Ionic bond or hydrogen bridge? Brønsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core-level binding energy shifts. A study of 15 organic cocrystal and salt systems shows that standard X-ray photoelectron spectroscopy (XPS) can be used as a complementary method to X-ray crystallography for distinguishing proton transfer from H-bonding in organic condensed matter (see picture). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Original language	English
Pages (from-to)	9916-9918
Journal	Angewandte Chemie - International Edition
Volume	50
Issue number	42
DOIs	https://doi.org/10.1002/anie.201103981
Publication status	Published - 10 Oct 2011

Keywords

hydrogen bonds
photoelectron spectroscopy
protonation
solid-state structures
X-ray diffraction

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10.1002/anie.201103981

http://dx.doi.org/10.1002/anie.201103981

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title = "Crystallography aided by atomic core-level binding energies: Proton transfer versus hydrogen bonding in organic crystal structures",

abstract = "Ionic bond or hydrogen bridge? Br{\o}nsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core-level binding energy shifts. A study of 15 organic cocrystal and salt systems shows that standard X-ray photoelectron spectroscopy (XPS) can be used as a complementary method to X-ray crystallography for distinguishing proton transfer from H-bonding in organic condensed matter (see picture). Copyright {\textcopyright} 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.",

keywords = "hydrogen bonds, photoelectron spectroscopy, protonation, solid-state structures, X-ray diffraction",

author = "Stevens, {Joanna S.} and Byard, {Stephen J.} and Seaton, {Colin C.} and Ghazala Sadiq and Davey, {Roger J.} and Schroeder, {Sven L M}",

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T1 - Crystallography aided by atomic core-level binding energies: Proton transfer versus hydrogen bonding in organic crystal structures

AU - Stevens, Joanna S.

AU - Byard, Stephen J.

AU - Seaton, Colin C.

AU - Sadiq, Ghazala

AU - Davey, Roger J.

AU - Schroeder, Sven L M

PY - 2011/10/10

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N2 - Ionic bond or hydrogen bridge? Brønsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core-level binding energy shifts. A study of 15 organic cocrystal and salt systems shows that standard X-ray photoelectron spectroscopy (XPS) can be used as a complementary method to X-ray crystallography for distinguishing proton transfer from H-bonding in organic condensed matter (see picture). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

AB - Ionic bond or hydrogen bridge? Brønsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core-level binding energy shifts. A study of 15 organic cocrystal and salt systems shows that standard X-ray photoelectron spectroscopy (XPS) can be used as a complementary method to X-ray crystallography for distinguishing proton transfer from H-bonding in organic condensed matter (see picture). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

KW - hydrogen bonds

KW - photoelectron spectroscopy

KW - protonation

KW - solid-state structures

KW - X-ray diffraction

U2 - 10.1002/anie.201103981

DO - 10.1002/anie.201103981

M3 - Article

SN - 1433-7851

VL - 50

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 42

ER -

Crystallography aided by atomic core-level binding energies: Proton transfer versus hydrogen bonding in organic crystal structures

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Keywords

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