scholarly journals Theoretical, Solid‐State, and Solution Quantification of the Hydrogen Bond‐Enhanced Halogen Bond

2020 ◽  
Author(s):  
Daniel A. Decato ◽  
Asia Marie S. Riel ◽  
James H. May ◽  
Vyacheslav S. Bryantsev ◽  
Orion B. Berryman
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Halogen Bond

Competition between hydrogen bonds and halogen bonds: a structural study

2018 ◽  
Vol 42 (13) ◽  
pp. 10539-10547 ◽  
Author(s):  
Janaka C. Gamekkanda ◽  
Abhijeet S. Sinha ◽  
John Desper ◽  
Marijana Đaković ◽  
Christer B. Aakeröy
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Structural Study ◽  
Halogen Bond ◽  
Halogen Bonds ◽  
Hydrogen Bond Donors

O–H hydrogen-bond donors and R–CC–I halogen-bond donors are close competitors for suitable acceptor sites in solid-state assembly.

scholarly journals Theoretical, Solid‐State, and Solution Quantification of the Hydrogen Bond‐Enhanced Halogen Bond

2020 ◽  
Author(s):  
Daniel A. Decato ◽  
Asia Marie S. Riel ◽  
James H. May ◽  
Vyacheslav S. Bryantsev ◽  
Orion B. Berryman
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Halogen Bond

scholarly journals Comparing the Halogen Bond to the Hydrogen Bond by Solid-State NMR Spectroscopy: Anion Coordinated Dimers from 2- and 3-Iodoethynylpyridine Salts

2018 ◽  
Vol 24 (44) ◽  
pp. 11364-11376 ◽  
Author(s):  
Patrick M. J. Szell ◽  
Gabriella Cavallo ◽  
Giancarlo Terraneo ◽  
Pierangelo Metrangolo ◽  
Bulat Gabidullin ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Halogen Bond ◽  
Solid State Nmr Spectroscopy

Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles

2017 ◽  
Vol 203 ◽  
pp. 371-388 ◽  
Author(s):  
C. A. Gunawardana ◽  
J. Desper ◽  
A. S. Sinha ◽  
M. Ðaković ◽  
C. B. Aakeröy
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Proton Transfer ◽  
Halogen Bond ◽  
Crystal Formation ◽  
Halogen Bonds ◽  
Supramolecular Architectures ◽  
Hydrogen Bond Interactions ◽  
Structure Extension ◽  
The Impact

Three isomeric forms of 1-(pyridylmethyl)-2,2′-biimidazole, A1–A3, have been synthesized and subjected to systematic co-crystallizations with selected hydrogen- and halogen-bond donors in order to explore the impact of electrostatics and geometry on the resulting supramolecular architectures. The solid-state supramolecular behavior of A1–A3 is largely consistent in halogen-bonded co-crystals. Only two types of primary interactions, the N–H⋯N/N⋯H–N homomeric hydrogen-bond interactions responsible for the pairing of biimidazole moieties and the I⋯N(pyridine) halogen bonds responsible for the co-crystal formation and structure extension, are present in these systems. The co-crystallizations with hydrogen-bond donors (carboxylic acids), however, lead to multiple possible structural outcomes because of the presence of the biimidazole–acid N–H⋯OC/N⋯H–O heterosynthon that can compete with biimidazole–biimidazole N–H⋯N/N⋯H–N homosynthon. In addition, the somewhat unpredictable nature of proton transfer makes the hydrogen-bonded co-crystals structurally less consistent than their halogen-bonded counterparts.

Refinement of hydrogen atomic position in a hydrogen bond using a combination of solid-state NMR and computation

2003 ◽  
pp. 2834 ◽  
Author(s):  
Robin K. Harris ◽  
Phuong Y. Ghi ◽  
Robert B. Hammond ◽  
Cai-Yun Ma ◽  
Kevin J. Roberts
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Solid State Nmr ◽  
Atomic Position

scholarly journals (Z)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3H)-one dichloromethane hemisolvate

2014 ◽  
Vol 70 (4) ◽  
pp. o418-o418
Author(s):  
Palak Agarwal ◽  
Pragati Mishra ◽  
Nikita Gupta ◽  
Neelam ◽  
Priyaranjan Sahoo ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Halogen Bond ◽  
Solvent Molecule ◽  
Twofold Axis ◽  
Bond Interaction ◽  
The Mean

In the title compound, 2C14H8N4O6·CH2Cl2, the dichloromethane solvent molecule resides on a crystallographic twofold axis. The mean plane of the phthalisoimide ring is oriented at a dihedral angle of 32.93 (12)° with respect to the nitro-substituted benzene ring. An intramolecular N—H...O hydrogen bond occurs. The crystal packing features a short Cl...O halogen-bond interaction [3.093 (3) Å].

Peri-, Site- and Stereocontrolled Photocycloaddition of 4-Methoxy-6-methyl-2-pyrone with Maleimide Induced by the Hydrogen Bond and CT Stacking in the Solid State

1999 ◽  
Vol 28 (2) ◽  
pp. 181-182 ◽  
Author(s):  
Toru Obata ◽  
Tetsuro Shimo ◽  
Shigeyoshi Yoshimoto ◽  
Kenichi Somekawa ◽  
Masaru Kawaminami
Keyword(s):  
Hydrogen Bond ◽  
Solid State

A kinetic study of mechanochemical halogen bond formation by in situ31P solid-state NMR spectroscopy

2017 ◽  
Vol 53 (71) ◽  
pp. 9930-9933 ◽  
Author(s):  
Yijue Xu ◽  
Lysiane Champion ◽  
Bulat Gabidullin ◽  
David L. Bryce
Keyword(s):  
Activation Energy ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Kinetic Study ◽  
Solid State Nmr ◽  
Halogen Bond ◽  
Bond Formation ◽  
Nmr Studies ◽  
Solid State Nmr Spectroscopy

In situ 31P solid-state NMR studies of mechanochemical halogen bond formation provide insights into the cocrystallisation process and an estimate of the activation energy.

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