Correction for ‘Substituent interference on supramolecular assembly in urea gelators: synthesis, structure prediction and NMR’ by Francesca Piana et al., Soft Matter, 2016, 12, 4034–4043

David H. Case

Francesca Piana

Giuseppe Pileio

Graeme M. Day

Jesús Angulo

Marco Facciotti

Nonappa

Noponen

Philip A. Gale

Richard C. D. Brown

Susana M. Ramalhete

Wallace

Yaroslav Z. Khimyak

Eighteen N-aryl-N'-alkyl urea gelators were synthesised in order to understand the effect of head substituents on gelation performance. Minimum gelation concentration values obtained from gel formation studies were used to rank the compounds and revealed the remarkable performance of 4-methoxyphenyl urea gelator 15 in comparison to 4-nitrophenyl analogue 14, which could not be simply ascribed to substituent effects on the hydrogen bonding capabilities of the urea protons. Crystal structure prediction calculations indicated alternative low energy hydrogen bonding arrangements between the nitro group and urea protons in gelator 14, which were supported experimentally by NMR spectroscopy. As a consequence, it was possible to relate the observed differences to interference of the head substituents with the urea tape motif, disrupting the order of supramolecular packing. The combination of unbiased structure prediction calculations with NMR is proposed as a powerful approach to investigate the supramolecular arrangement in gel fibres and help understand the relationships between molecular structure and gel formation

Piana, Francesca

Case, David H.

Campos E Menezes Jorge Ramalhete, Susana

Pileio, Giuseppe

Facciotti, Marco

Day, Graeme M.

Khimyak, Yaroslav

Angulo, Jesus

Brown, Richard C. D.

Gale, Philip A.

University of East Anglia digital repository

Substituent interference on supramolecular assembly in urea gelators: synthesis, structure prediction and NMR

Ramalhete, Susana M.

Pileio, Guiseppe

Khimyak, Yaroslav Z.

Angulo, Jesús

This journal is©The Royal Society of Chemistry 2016 Soft Matter, 2016, 12, 5489 | 5489Cite this: SoftMatter, 2016,12, 5489Correction: Substituent interference onsupramolecular assembly in urea gelators:synthesis, structure prediction and NMRFrancesca Piana,a David H. Case,a Susana M. Ramalhete,b Giuseppe Pileio,aMarco Facciotti,a Graeme M. Day,*a Yaroslav Z. Khimyak,*b Jesu´s Angulo,bRichard C. D. Browna and Philip A. Gale*aCorrection for ‘Substituent interference on supramolecular assembly in urea gelators: synthesis, structureprediction and NMR’ by Francesca Piana et al., Soft Matter, 2016, 12, 4034–4043.After the publication of our paper we have become aware of the work of Nonappa, Lahtinen, Kolehmainen et al. reporting CP/MASNMR spectra of gels. Hence, the sentence referring to CP/MAS NMR results should read ‘‘These are rare examples ofsupramolecular gels in which 1H–13C CP/MAS NMR peaks were detectable without any physical modification of the gelsamples.’’1–3References1 Nonappa, M. Lahtinen, B. Behera, E. Kolehmainen and U. Maitra, Soft Matter, 2010, 6, 1748–1757.2 V. Noponen, Nonappa, M. Lahtinen, A. Valkonen, H. Salo, E. Kolehmainen and E. Sieva¨nen, Soft Matter, 2010, 6, 3789–3796.3 M. Wallace, J. A. Iggo and D. J. Adams, Soft Matter, 2015, 11, 7739–7747 (ref. 49 in the original article).The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.a Chemistry, University of Southampton, Southampton, SO17 1BJ, UKb School of Pharmacy, University of East Anglia, Norwich Research Park, Norwich, NR4 7TJ, UKDOI: 10.1039/c6sm90091gwww.rsc.org/softmatterSoft MatterCORRECTIONOpen Access Article. Published on 02 June 2016. Downloaded on 01/07/2016 12:15:14.  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.View Article OnlineView Journal  | View Issue

Correction: Substituent interference on supramolecular assembly in urea gelators: synthesis, structure prediction and NMR

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Soft Matter

Brown, Richard C.D.

Southampton (e-Prints Soton)

Correction: Substituent interference on supramolecular assembly in urea gelators: synthesis, structure prediction and NMR

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