Results 11 to 20 of about 449,459 (150)

Macromolecular halogen bonds [PDF]

open access: yes
The halogen bond is a non-covalent, stabilizing interaction analogous to a hydrogen bond in which an anisotropically polarized halogen atom interacts electrostatically with a Lewis base.
Voth, Andrea Regier
core   +6 more sources

Real-space Imaging of the Multiple Halogen Bonds by Ultrahigh-resolution Scanning Probe Microscopy [PDF]

open access: yes, 2021
Understanding the physical origin of STM/AFM image contrast is of significance for not only promoting surface characterization techniques, but also probing surface nanostructures with the atomic/sub-molecular resolution.
Dingguan, Wang   +5 more
core   +1 more source

Probing Halogen Bonds by Scalar Couplings. [PDF]

open access: yesJ Am Chem Soc, 2021
As halogen bonding is a weak, transient interaction, its description in solution is challenging. We demonstrate that scalar coupling constants (J) are modulated by halogen bonding.
Jimmink B   +4 more
europepmc   +2 more sources

Activation of a Metal-Halogen Bond by Halogen Bonding [PDF]

open access: yes, 2020
In recent years, the non-covalent interaction of halogen bonding (XB) has found increasing application in organocatalysis. However, reports of the activation of metal-ligand bonds by XB have so far been limited to a few reactions with elemental iodine or
Claude, Legault   +7 more
core   +2 more sources

Controlling Topology within Halogen-Bonded Networks by Varying the Regiochemistry of the Cyclobutane-Based Nodes

open access: yesMolecules, 2021
The formation of a pair of extended networks sustained by halogen bonds based upon two regioisomers of a photoproduct, namely rctt-1,3-bis(4-pyridyl)-2,4-bis(phenyl)cyclobutane (ht-PP) and rctt-1,2-bis(4-pyridyl)-3,4-bis(phenyl)cyclobutane (hh-PP), that ...
Taylor J. Dunning   +3 more
doaj   +1 more source

Catalytic Activation via π –Backbonding in Halogen Bonds? [PDF]

open access: yes, 2021
The role of halogen bonding (XB) in chemical catalysis has largely involved using XB donors as Lewis acid activators to modulate the reactivity of partner Lewis bases.
Andrew, Wang, Pierre, Kennepohl
core   +2 more sources

In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory

open access: yesMolecules, 2020
Periodic local vibrational modes were calculated with the rev-vdW-DF2 density functional to quantify the intrinsic strength of the X-I⋯OA-type halogen bonding (X = I or Cl; OA: carbonyl, ether and N-oxide groups) in 32 model systems originating from 20 ...
Yunwen Tao   +5 more
doaj   +1 more source

Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization

open access: yesIUCrJ, 2018
Halogen bonds have emerged as noncovalent forces that govern the assembly of molecules in organic solids with a degree of reliability akin to hydrogen bonds.
Michael A. Sinnwell   +3 more
doaj   +1 more source

Leveraging Halogen Interactions for a Supramolecular Nanotube [PDF]

open access: yes, 2023
Supramolcular nanotubes in a single crystal were produced from halogenated macrocycles by balancing hydrogen bonds and halogen interactions. A new iodinated macrocycle was prepared, crystallized, and a bonding analysis was performed to evaluate the ...
Lorraine, Malaspina   +6 more
core   +1 more source

The Tetrel Bonds of Hypervalent Halogen Compounds

open access: yesMolecules, 2023
The tetrel bond between PhXF2Y(TF3) (T = C and Si; X = Cl, Br, and I; Y = F and Cl) and the electron donor MCN (M = Li and Na) was investigated at the M06-2X/aug-cc-pVDZ level of theory.
Zhihao Niu   +2 more
doaj   +1 more source

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