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Research Output 2002 2019

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2019
13 Downloads (Pure)

A 2-D π-π dimer model system to investigate structure-charge transfer relationships in rubrene

Jing, S. C., McHugh, C. J. & Calvo-Castro, J., 23 Jan 2019, In : Journal of Materials Chemistry C. 7, p. 2029-2036 8 p.

Research output: Contribution to journalArticle

Open Access
File
Dimers
Charge transfer
Crystal engineering
fibrin fragment D
rubrene

Role of H-optimization in the computed intermolecular interactions and charge-transfer integrals in diketopyrrolopyrroles

Calvo-Castro, J., Kennedy, A. R. & McHugh, C. J., 11 Apr 2019, In : Journal of Physical Chemistry A. 123, 14, p. 3185−3193 9 p.

Research output: Contribution to journalArticle

Dimers
Charge transfer
Atoms
X rays
Geometry
2017
5 Citations (Scopus)
109 Downloads (Pure)
Open Access
File
Dimers
Charge transfer
Single crystals
Bearings (structural)
Crystalline materials
2016
14 Citations (Scopus)

Effects of Fluorine Substitution on the Intermolecular Interactions, Energetics, and Packing Behavior of N-Benzyl Substituted Diketopyrrolopyrroles

Calvo-castro, J., Morris, G., Kennedy, A. R. & Mchugh, C. J., 6 Apr 2016, In : Crystal Growth & Design. 16, 4, p. 2371-2384

Research output: Contribution to journalArticle

Fluorine
fluorine
Substitution reactions
Dimers
substitutes
12 Citations (Scopus)
98 Downloads (Pure)

Fluorine Directed Two-Dimensional Cruciform π−π Stacking in Diketopyrrolopyrroles

Calvo-Castro, J., Morris, G., Kennedy, A. R. & McHugh, C., 7 Sep 2016, In : Crystal Growth & Design. 16, 9, p. 5385−5393

Research output: Contribution to journalArticle

Open Access
File
Fluorine
Dimers
fluorine
dimers
Charge transfer
2 Citations (Scopus)

Impact of substituent effects on the Raman spectra of structurally related N-substituted diketopyrrolopyrroles.

Calvo-Castro, J., Warzecha, M., McLean, A. & McHugh, C., 1 Mar 2016, In : Vibrational Spectroscopy. 83, p. 8-16

Research output: Contribution to journalArticle

Vibrational spectra
Raman scattering
Substitution reactions
Lactams
Functional materials
9 Citations (Scopus)

Intermolecular Interactions and Energetics in the Crystalline π–π Stacks and Associated Model Dimer Systems of Asymmetric Halogenated Diketopyrrolopyrroles

Calvo-castro, J., Warzecha, M., Oswald, I. D. H., Kennedy, A. R., Morris, G., Mclean, A. J. & Mchugh, C. J., 2 Mar 2016, In : Crystal Growth & Design. 16, 3, p. 1531-1542

Research output: Contribution to journalArticle

Dimers
dimers
Crystalline materials
Halogens
Crystal structure
3 Citations (Scopus)
96 Downloads (Pure)

Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles

Calvo-Castro, J., Maczka, S., Thomson, C., Morris, G., Kennedy, A. R. & McHugh, C., 22 Nov 2016, In : CrystEngComm. 18, p. 9382-9390 9 p.

Research output: Contribution to journalArticle

Open Access
File
Transport properties
Charge transfer
Substitution reactions
Bearings (structural)
transport properties
2015
16 Citations (Scopus)

Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency

Warzecha, M., Calvo-Castro, J., Kennedy, A. R., Macpherson, A. N., Shankland, K., Shankland, N., McLean, A. J. & McHugh, C. J., 2015, In : ChemComm. 51, 6, p. 1143-1146

Research output: Contribution to journalArticle

2014
16 Citations (Scopus)
2007
9 Citations (Scopus)

TNT stilbene derivatives as SERRS active species

McHugh, C., Kennedy, A. R., Smith, W. E. & Graham, D., 2007, In : Analyst. 132, 10, p. 986-988 3 p.

Research output: Contribution to journalArticle

Trinitrotoluene
trinitrotoluene
Stilbenes
Derivatives
2006
14 Citations (Scopus)

Electron-deficient benzotriazoles for the selective N-acetylation of nucleosides

Reid, A. K., McHugh, C. J., Richie, G. & Graham, D., 19 Jun 2006, In : Tetrahedron Letters. 47, 25, p. 4201-4203 3 p.

Research output: Contribution to journalArticle

Acetylation
Cytidine
Deoxycytidine
Nucleosides
Electrons
2005
95 Citations (Scopus)

Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(I) complexes

Kennedy, A. R., Brown, K. G., Graham, D., Kirkhouse, J. B., Kittner, M., Major, C., McHugh, C. J., Murdoch, P. & Smith, W. E., 5 May 2005, In : New Journal of Chemistry. 29, 6, p. 826-832 7 p.

Research output: Contribution to journalArticle

2,2'-Dipyridyl
Chromophores
hydrazine
Ligands
Hydrazine
26 Citations (Scopus)

Simultaneous multianalyte identification of molecular species involved in terrorism using Raman spectroscopy

Docherty, F. T., Monaghan, P. B., McHugh, C. J., Graham, D., Smith, W. E. & Cooper, J. M., 2005, In : IEEE Sensors Journal. 5, 4, p. 632-640 9 p.

Research output: Contribution to journalArticle

terrorism
Terrorism
Raman spectroscopy
Lab-on-a-chip
Vibrational spectroscopy
2004
20 Citations (Scopus)

SERRS dyes: part 3. synthesis of reactive benzotriazole azo dyes for surface enhanced resonance Raman scattering

Enright, A., Fruk, L., Grondin, A., McHugh, C. J., Smith, W. E. & Graham, D., 2004, In : Analyst. 129, p. 975-978 4 p.

Research output: Contribution to journalArticle

Azo Compounds
Azo dyes
Raman Spectrum Analysis
Raman scattering
dye
24 Citations (Scopus)

SERRS Dyes: part 2. synthesis and evaluation of dyes for multiple labelling for SERRS.

McHugh, C. J., Docherty, F. T., Graham, D. & Smith, W. E., 2004, In : Analyst. 129, 1, p. 69-72 4 p.

Research output: Contribution to journalArticle

Labeling
dye
Coloring Agents
Azo Compounds
Dyes
15 Citations (Scopus)

The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene

Graham, D., Kennedy, A. R., McHugh, C. J., Smith, W. E., David, W. I. F., Shankland, K. & Shankland, N., 2004, In : New Journal of Chemistry. 28, p. 161-165 5 p.

Research output: Contribution to journalArticle

Trinitrotoluene
Crystal structure
Single crystals
Synchrotrons
X ray powder diffraction
2002
8 Citations (Scopus)

Controlled synthesis of electron deficient nitro-1H-benzotriazoles

McHugh, C. J., Tackley, D. R. & Graham, D., 2002, In : Heterocycles. 57, 8, p. 1461-1470 10 p.

Research output: Contribution to journalArticle

Nitration
Electrons
Density functional theory
Derivatives
benzotriazole
36 Citations (Scopus)

Internal labelling of oligonucleotide probes by Diels Alder cycloaddition

Graham, D., Grondin, A., McHugh, C., Fruk, L. & Smith, W. E., 2002, In : Tetrahedron Letters. 43, 27, p. 4785-4788 4 p.

Research output: Contribution to journalArticle

Cycloaddition
Oligonucleotide Probes
Cycloaddition Reaction
Oligonucleotides
Labeling
56 Citations (Scopus)

Selective functionalisation of TNT for sensitive detection by SERRS

McHugh, C. J., Keir, R., Graham, D. & Smith, W. E., 2002, In : ChemComm. 6, p. 580-581 2 p.

Research output: Contribution to journalArticle

Trinitrotoluene
2 Citations (Scopus)

Selective protection of 5-aminobenzotriazole for controlled reaction at the primary amine

McKeown, D., McHugh, C. J., McCabe, A., Smith, W. E. & Graham, D., 2002, In : Heterocycles. 57, 7, p. 1227-1230 4 p.

Research output: Contribution to journalArticle

Triazoles
Amines
Nucleophiles
Metals
Molecules
67 Citations (Scopus)

SERRS. in-situ substrate formation and improved detection using microfluidics

Keir, R., Igata, E., Arundell, M., Smith, W. E., Graham, D., McHugh, C. & Cooper, J. M., 2002, In : Analytical Chemistry. 74, 7, p. 1503-1508 6 p.

Research output: Contribution to journalArticle

Colloids
Microfluidics
Raman scattering
Trinitrotoluene
Substrates
31 Citations (Scopus)

The first controlled reduction of the high explosive RDX.

McHugh, C., Smith, W. E., Lacey, R. & Graham, D., 2002, In : ChemComm. 21, p. 2514-2515 2 p.

Research output: Contribution to journalArticle

cyclonite