Search - Archive ouverte HAL Access content directly

Filter your results

46 Results
Image document

N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning

Vishnu Vijayakumar-Syamala , Emmanuel Aubert , Maxime Deutsch , Emmanuel Wenger , Arun Dhaka et al.
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2022, 78, pp.436 - 449. ⟨10.1107/s2052520622002542⟩
Journal articles hal-03688876v1
Image document

Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical I***O halogen bond interactions.

Kyoung-Soon Shin , Olivier Jeannin , Mariya Brezgunova , Slimane Dahaoui , Emmanuel Aubert et al.
Dalton Transactions, 2014, 43 (14), pp.5280-91. ⟨10.1039/c3dt52801d⟩
Journal articles hal-01061352v1

Synthesis and physico-chemical studies of a novel organo-metallic compound CdCl2(C6H4FNH2)(2)

M. Ben Nasr , Emmanuel Aubert , Enrique Espinosa , Frédéric Lefebvre , C. Ben Nasr et al.
Journal of Molecular Structure, 2015, 1082, pp.162-169. ⟨10.1016/j.molstruc.2014.10.075⟩
Journal articles hal-01521893v1
Image document

Chalcogen Bonding in Co-Crystals: Activation through 1,4-Perfluorophenylene vs. 4,4 '-Perfluorobiphenylene Cores

Arun Dhaka , Olivier Jeannin , Emmanuel Aubert , Enrique Espinosa , Marc Fourmigue et al.
Molecules, 2021, 26 (13), pp.4050. ⟨10.3390/molecules26134050⟩
Journal articles hal-03330992v1

An easy route towards regioselectively difunctionalized cyclens and new cryptands

Fanny Chaux , Franck Denat , Enrique Espinosa , Roger Guilard
Chemical Communications, 2006, pp.5054-5056. ⟨10.1039/b612293k⟩
Journal articles istex hal-00458538v1
Image document

Polarization of Electron Density Databases of Transferable Multipolar Atoms

Theo Leduc , Emmanuel Aubert , Enrique Espinosa , Christian Jelsch , Cristian Iordache et al.
Journal of Physical Chemistry A, 2019, 123 (32), pp.7156-7170. ⟨10.1021/acs.jpca.9b05051⟩
Journal articles hal-02355909v1
Image document

On atom-atom `short contact' bonding interactions in crystals

Claude Lecomte , Enrique Espinosa , Cherif F. Matta
International Union of Crystallography journal, 2015, 2 (2), pp.161-163. ⟨10.1107/S2052252515002067⟩
Journal articles hal-01521908v1
Image document

Probing the Electronic Properties and Interaction Landscapes in a Series of N -(Chlorophenyl)pyridinecarboxamides

John F Gallagher , Niall Hehir , Pavle Mocilac , Chloé Violin , Brendan F O’connor et al.
Crystal Growth & Design, 2022, 22 (5), pp.3343-3358. ⟨10.1021/acs.cgd.2c00153⟩
Journal articles hal-03811332v1
Image document

Identification and characterization of novel potentially oncogenic mutations in the human gene in a breast cancer patient

M. Ángeles Villaronga , Irene López-Mateo , Linn Markert , Enrique Espinosa , Juan Ángel Fresno Vara et al.
Breast Cancer Research and Treatment, 2011, 128 (3), pp.891-898. ⟨10.1007/s10549-011-1492-4⟩
Journal articles hal-00629080v1

Macrotricycles featuring a pi-basic tetrahedral cavity: preference for NH4+ detected by electrospray ionization mass spectrometry

Anne Lélias-Vanderperre , Jean-Claude Chambron , Enrique Espinosa , Peran Terrier , Emmanuelle Leize-Wagner et al.
Organic Letters, 2007, 9 (16), pp.2961-2964. ⟨10.1021/ol070498a⟩
Journal articles hal-00458555v1

Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in the laboratory

Vishnu Vijayakumar-Syamala , Maxime Deutsch , Emmanuel Aubert , Massimo Nespolo , Cyril Palin et al.
Acta Crystallographica Section A : Foundations and Advances [2014-..], 2021, 77, pp.C625-C625
Journal articles hal-03629929v1
Image document

Understanding Reactivity and Assembly of Dichalcogenides: Structural, Electrostatic Potential, and Topological Analyses of 3 H-1,2-Benzodithiol-3-one and Selenium Analogs

R. Shukla , A. Dhaka , Emmanuel Aubert , V. Vijayakumar-Syamala , O. Jeannin et al.
Crystal Growth & Design, 2020, 20 (12), pp.7704-7725. ⟨10.1021/acs.cgd.0c00961⟩
Journal articles hal-03103464v1

Tracing environment effects that influence the stability of anion-anion complexes: The case of phosphate-phosphate interactions

Ignasi Mata , Ibon Alkorta , Elies Molins , Enrique Espinosa
Chemical Physics Letters, 2013, 555, pp.106-109. ⟨10.1016/j.cplett.2012.10.073⟩
Journal articles hal-01520990v1

N -[3a-(4-Bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1 H -cyclopenta[ b ]benzofuran-1-yl]formamide monohydrate

Emmanuel Aubert , Frédéric Thuaud , Nigel Ribeiro , Laurent Désaubry , Enrique Espinosa et al.
Acta Crystallographica Section E : Structure Reports Online [2001-2014], 2013, 69 (1), pp.o52 - o53. ⟨10.1107/S1600536812049641⟩
Journal articles hal-01521958v1

Charge-Assisted Halogen Bonding: Donor–Acceptor Complexes with Variable Ionicity

Julien Lieffrig , Olivier Jeannin , Arkadiusz Fra , Arkadiusz Frackowiak , Iwona Olejniczak et al.
Chemistry - A European Journal, 2013, 19 (44), pp.14804 - 14813. ⟨10.1002/chem.201302507⟩
Journal articles istex hal-01151717v1

Room temperature auto-conversion of free-base corrole to free-base porphyrin

Claude P. Gros , Jean-Michel Barbe , Enrique Espinosa , Roger Guilard
Angewandte Chemie International Edition, 2006, 45, pp.5642-5645. ⟨10.1002/anie.200601580⟩
Journal articles istex hal-00458497v1

Stabilization of polyiodide chains via anion center dot center dot center dot anion interactions: experiment and theory

Kevin Lamberts , Philipp Handels , Ulli Englert , Emmanuel Aubert , Enrique Espinosa et al.
CrystEngComm, 2016, 18 (21), pp.3832-3841. ⟨10.1039/c6ce00396f⟩
Journal articles hal-01533284v1
Image document

Topochemical Polymerization of a Diacetylene in a Chalcogen-Bonded (ChB) Assembly

Arun Dhaka , Ie-Rang Jeon , Olivier Jeannin , Emmanuel Aubert , Enrique Espinosa et al.
Angewandte Chemie International Edition, 2022, pp.e202116650. ⟨10.1002/anie.202116650⟩
Journal articles hal-03555294v1

The Chemo- and Stereoselective Formation of Pallado- and Platinocryptophanes

Astrid Schaly , Michel Meyer , Jean-Claude Chambron , Marion Jean , Nicolas Vanthuyne et al.
European Journal of Inorganic Chemistry, 2019, 2019 (22), pp.2691-2706. ⟨10.1002/ejic.201900230⟩
Journal articles hal-02392110v1

Energetic, Topological and Electric Field Analyses of Cation-Cation Nucleic Acid Interactions in Watson-Crick Disposition

Ibon Alkorta , Ignasi Mata , Elies Molins , Enrique Espinosa
ChemPhysChem, 2019, 20 (1), pp.148-158. ⟨10.1002/cphc.201800878⟩
Journal articles hal-02976872v1

Multi-Component Crystals. Synthesis, Concepts, Function . Edited by Edward Tiekink and Julio Zukerman-Schpector. De Gruyter, 2017, Hardcover, Pp. xv+347. Price EUR 139.95, USD 160.99, GBP 127.88. ISBN 978-3-11-046365-1

Enrique Espinosa
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2019, 75 (3), pp.460-461. ⟨10.1107/S2052520619007121⟩
Journal articles hal-02976875v1

Chalcogen Bonding: Experimental and Theoretical Determinations from Electron Density Analysis. Geometrical Preferences Driven by Electrophilic−Nucleophilic Interactions

Brezgunova Mariya , Julien Lieffrig , Emmanuel Aubert , Slimane Dahaoui , Pierre Fertey et al.
Crystal Growth & Design, 2013, 13 (8), pp.3283-3289. ⟨10.1021/cg400683u⟩
Journal articles hal-01151698v1

Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems

Olena Makhotkina , Julien Lieffrig , Olivier Jeannin , Marc Fourmigué , Emmanuel Aubert et al.
Crystal Growth & Design, 2015, 15 (7), pp.3464--3473. ⟨10.1021/acs.cgd.5b00535⟩
Journal articles hal-01216304v1
Image document

Toward a reverse hierarchy of halogen bonding between bromine and iodine

Emmanuel Aubert , Enrique Espinosa , Irène Nicolas , Olivier Jeannin , Marc Fourmigué et al.
Faraday Discussions, 2017, 203 (4), pp.389-406. ⟨10.1039/C7FD00067G⟩
Journal articles hal-01619450v1
Image document

Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)

Huu-Tri Huynh , Olivier Jeannin , Emmanuel Aubert , Enrique Espinosa , Marc Fourmigue et al.
New Journal of Chemistry, 2021, 45 (1), pp.76-84. ⟨10.1039/d0nj05293k⟩
Journal articles hal-03127392v1
Image document

N-Chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering

Arun Dhaka , Olivier Jeannin , Emmanuel Aubert , Enrique Espinosa , Marc Fourmigué et al.
Chemical Communications, 2022, 58 (77), pp.10825-10828. ⟨10.1039/d2cc03971k⟩
Journal articles hal-03797315v1
Image document

At the Interface of Isomorphous Behavior in a 3 × 3 Isomer Grid of Monochlorobenzamides: Analyses of the Interaction Landscapes via Contact Enrichment Studies

John Gallagher , Mark Farrell , Niall Hehir , Pavle Mocilac , Emmanuel Aubert et al.
Crystal Growth & Design, 2019, 19 (11), pp.6141-6158. ⟨10.1021/acs.cgd.9b00505⟩
Journal articles hal-02365267v1

Snow, Ice and Other Wonders of Water. A Tribute to the Hydrogen Bond . By Ivar Olovsson. World Scientific, 2016. Softcover, Pp. 124. Price GBP 13.00 ISBN 9789814749367

Enrique Espinosa
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2016, 72 (6), pp.930-931. ⟨10.1107/S2052520616015468⟩
Journal articles hal-02976881v1

Charged versus Neutral Hydrogen-Bonded Complexes: Is There a Difference in the Nature of the Hydrogen Bonds?

Ibon Alkorta , Ignasi Mata , Elies Molins , Enrique Espinosa
Chemistry - A European Journal, 2016, 22 (27), pp.9226-9234. ⟨10.1002/chem.201600788⟩
Journal articles hal-01532141v1

An Optically-Pure Hemicryptophane as NMR and ECD Responsive Probe for Chloroform

Frédérique Brégier , Emmanuel Aubert , Enrique Espinosa , Jean-Claude Chambron
ChemistrySelect, 2016, 1 (10), pp.2389 - 2395. ⟨10.1002/slct.201600312⟩
Journal articles hal-01504670v1