Reaction of o-phenylenediamine with diacetyl monoxime: Characterisation of the product by solid-state 13C and 15N MAS NMR

T. Radhakrishnan; P. Sreekumari Nair; G. A. Kolawole; N. Revaprasadu; G. E. Hawkes; M. Motevalli; E. S. Bento; P. O'Brien

doi:10.1002/mrc.1923

Reaction of o-phenylenediamine with diacetyl monoxime: Characterisation of the product by solid-state 13C and 15N MAS NMR

T. Radhakrishnan, P. Sreekumari Nair, G. A. Kolawole, N. Revaprasadu, G. E. Hawkes, M. Motevalli, E. S. Bento, P. O'Brien

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

Abstract

2,3-Dimethylquinoxaline (DMQ) and dimethylglyoxime (DMGH2) form a 1:1 hydrogen-bonded complex in the solid state, which is completely dissociated in methanol solution. There are small differences in solid-state 13C shifts between the separated components DMQ and DMGH2 and the complex. The changes in 15N solid-state chemical shifts are more significant: the hydrogen bond imparting a low frequency shift of ca 19 ppm. The effect of direct protonation on the DMQ solid-state 15N shifts was measured, and the experimental 15N data correlated with those from GIAO molecular orbital (MO) calculations. Copyright © 2006 John Wiley & Sons, Ltd.

Original language	English
Pages (from-to)	59-64
Number of pages	5
Journal	Magnetic Resonance in Chemistry
Volume	45
Issue number	1
DOIs	https://doi.org/10.1002/mrc.1923
Publication status	Published - Jan 2007

Keywords

13C and 15N NMR
Hydrogen bond
MO shielding calculations
Solid-state MAS NMR

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10.1002/mrc.1923

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title = "Reaction of o-phenylenediamine with diacetyl monoxime: Characterisation of the product by solid-state 13C and 15N MAS NMR",

abstract = "2,3-Dimethylquinoxaline (DMQ) and dimethylglyoxime (DMGH2) form a 1:1 hydrogen-bonded complex in the solid state, which is completely dissociated in methanol solution. There are small differences in solid-state 13C shifts between the separated components DMQ and DMGH2 and the complex. The changes in 15N solid-state chemical shifts are more significant: the hydrogen bond imparting a low frequency shift of ca 19 ppm. The effect of direct protonation on the DMQ solid-state 15N shifts was measured, and the experimental 15N data correlated with those from GIAO molecular orbital (MO) calculations. Copyright {\textcopyright} 2006 John Wiley & Sons, Ltd.",

keywords = "13C and 15N NMR, Hydrogen bond, MO shielding calculations, Solid-state MAS NMR",

author = "T. Radhakrishnan and Nair, {P. Sreekumari} and Kolawole, {G. A.} and N. Revaprasadu and Hawkes, {G. E.} and M. Motevalli and Bento, {E. S.} and P. O'Brien",

note = "Radhakrishnan, T. Nair, P. Sreekumari Kolawole, G. A. Revaprasadu, N. Hawkes, G. E. Motevalli, M. Bento, E. S. O'Brien, P. 38 JOHN WILEY & SONS LTD CHICHESTER 124EI",

year = "2007",

month = jan,

doi = "10.1002/mrc.1923",

language = "English",

volume = "45",

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T1 - Reaction of o-phenylenediamine with diacetyl monoxime: Characterisation of the product by solid-state 13C and 15N MAS NMR

AU - Radhakrishnan, T.

AU - Nair, P. Sreekumari

AU - Kolawole, G. A.

AU - Revaprasadu, N.

AU - Hawkes, G. E.

AU - Motevalli, M.

AU - Bento, E. S.

AU - O'Brien, P.

N1 - Radhakrishnan, T. Nair, P. Sreekumari Kolawole, G. A. Revaprasadu, N. Hawkes, G. E. Motevalli, M. Bento, E. S. O'Brien, P. 38 JOHN WILEY & SONS LTD CHICHESTER 124EI

PY - 2007/1

Y1 - 2007/1

N2 - 2,3-Dimethylquinoxaline (DMQ) and dimethylglyoxime (DMGH2) form a 1:1 hydrogen-bonded complex in the solid state, which is completely dissociated in methanol solution. There are small differences in solid-state 13C shifts between the separated components DMQ and DMGH2 and the complex. The changes in 15N solid-state chemical shifts are more significant: the hydrogen bond imparting a low frequency shift of ca 19 ppm. The effect of direct protonation on the DMQ solid-state 15N shifts was measured, and the experimental 15N data correlated with those from GIAO molecular orbital (MO) calculations. Copyright © 2006 John Wiley & Sons, Ltd.

AB - 2,3-Dimethylquinoxaline (DMQ) and dimethylglyoxime (DMGH2) form a 1:1 hydrogen-bonded complex in the solid state, which is completely dissociated in methanol solution. There are small differences in solid-state 13C shifts between the separated components DMQ and DMGH2 and the complex. The changes in 15N solid-state chemical shifts are more significant: the hydrogen bond imparting a low frequency shift of ca 19 ppm. The effect of direct protonation on the DMQ solid-state 15N shifts was measured, and the experimental 15N data correlated with those from GIAO molecular orbital (MO) calculations. Copyright © 2006 John Wiley & Sons, Ltd.

KW - 13C and 15N NMR

KW - Hydrogen bond

KW - MO shielding calculations

KW - Solid-state MAS NMR

UR - https://www.ccdc.cam.ac.uk/structures/search?id=doi:10.5517/ccntrqx&sid=DataCite

U2 - 10.1002/mrc.1923

DO - 10.1002/mrc.1923

M3 - Article

SN - 1097-458X

VL - 45

SP - 59

EP - 64

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

IS - 1

ER -

Reaction of o-phenylenediamine with diacetyl monoxime: Characterisation of the product by solid-state 13C and 15N MAS NMR

Abstract

Keywords

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