Results 71 to 80 of about 449,459 (150)

Halogen bonding as a supramolecular dynamics catalyst

Nature Communications, 2019
The halogen bond is well known for its ability to assemble supramolecules. Here, using NMR experiments, the authors reveal the role of these bonds in dynamic processes, finding that the halogen bond directly catalyzes dynamical rotation in solid ...
Patrick M. J. Szell, Scott Zablotny, David L. Bryce   +2 more
doaj   +1 more source

Crystal structure of (Z)-2-fluorobenzyl 2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbodithioate dimethyl sulfoxide monosolvate

Acta Crystallographica Section E: Crystallographic Communications
The title solvate, C16H11F2N3OS2·C2H6OS, crystallized with two independent molecules (A and B) in the asymmetric unit. Both molecules exhibit an L-shaped geometry but slightly differ in the orientation of the o-fluorobenzyl ring with respect to the 5 ...
Mohd Abdul Fatah Abdul Manan, David B. Cordes, Aidan P. McKay   +2 more
doaj   +1 more source

The Influence of Liquid on the Outcome of Halogen-Bonded Metal–Organic Materials Synthesis by Liquid Assisted Grinding

Crystals, 2017
In this work, we describe novel multi-component halogen bonded solids of Co(ii) complexes and 1,4-diiodotetrafluorobenzene, 14tfib. We present the important influence of liquid on the outcome of liquid assisted grinding of dichlorobis(1,10-phenantroline ...
Katarina Lisac, Dominik Cinčić
doaj   +1 more source

Structure energy relationship of biological halogen bonds [PDF]

, 2012
2012 Summer.Includes bibliographical references.The primary goal of the studies in this thesis is to derive a set of mathematical models to describe the anisotropic atomic nature of covalent bound halogens and by extension their molecular interactions ...
Ross, Eric, committee member, Peersen, Olve, committee member, Kennan, Alan, committee member, Carter, Megan, author, Ho, P. Shing, advisor   +4 more
core  

Direct observation of photoinduced sequential spin transition in a halogen-bonded hybrid system by complementary ultrafast optical and electron probes

Nature Communications
A detailed understanding of the ultrafast dynamics of halogen-bonded materials is desired for designing supramolecular materials and tuning various electronic properties by external stimuli.
Yifeng Jiang, Stuart Hayes, Simon Bittmann, Antoine Sarracini, Lai Chung Liu, Henrike M. Müller-Werkmeister, Atsuhiro Miyawaki, Masaki Hada, Shinnosuke Nakano, Ryoya Takahashi, Samiran Banu, Shin-ya Koshihara, Kazuyuki Takahashi, Tadahiko Ishikawa, R. J. Dwayne Miller   +14 more
doaj   +1 more source

Halogen-Bonded Supramolecular Parallelograms: From Self-Complementary Iodoalkyne Halogen-Bonded Dimers to 1:1 and 2:2 Iodoalkyne Halogen-Bonded Cocrystals

The formation of supramolecular parallelograms utilizing iodoalkyne–pyridine halogen bonding is described. The crystal structures of four iodoalkynyl-substituted (phenylethynyl)pyridines demonstrate the feasibility of discrete self-complementary dimer ...
Nathan P. Bowling (1628467), Eric Bosch (1628470), Erin Speetzen (17941561)   +2 more
core   +1 more source

Influence of Substituent Effects on the Formation of P···Cl Pnicogen Bonds or Halogen Bonds

, 2016
Ab initio MP2/aug′-cc-pVTZ calculations have been carried out in search of equilibrium structures with P···Cl pnicogen bonds or halogen bonds on the potential energy surfaces H2FP:ClY for Y = F, NC, Cl, CN, CCH, CH3, and H.
José Elguero (1391101), Ibon Alkorta (537241), Janet E. Del Bene (805381)   +2 more
core   +1 more source

2-Fluorobenzyl (Z)-2-(5-chloro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate dimethyl sulfoxide monosolvate

IUCrData
In the title solvate, C16H11ClFN3OS2·C2H6OS, the C=N bond adopts a Z-configuration facilitating the formation of an intramolecular N—H...O hydrogen bond to the carbonyl O atom in an S(6) loop.
Aidan P. McKay, David B. Cordes, Mohd Abdul Fatah Abdul Manan   +2 more
doaj   +1 more source

Influence of substituent effects on the formation of P⋯Cl pnicogen bonds or halogen bonds

, 2014
Ab initio MP2/aug′-cc-pVTZ calculations have been carried out in search of equilibrium structures with P⋯Cl pnicogen bonds or halogen bonds on the potential energy surfaces H2FP:ClY for Y = F, NC, Cl, CN, CCH, CH3, and H. Three different types of halogen-
Elguero, José, Del Bene, Janet E., Alkorta, Ibon   +2 more
core   +1 more source

Self‐Assembly Pathways of Carbazole‐derived Macrocycles Into Nanotubular Architectures

Aggregate
Cooperative self‐assembly based on multiple non‐covalent interactions is ubiquitous in nature, yet the rational design of artificial cooperative systems remains challenging.
Yingbo Lu, Luyao Jin, Jianan Jin, Jiaqi Xuan, Jiani Wang, Zibin Zhang, Qiuchengyi Ye, Hua Yang, Zhigang Ni, Feng Wang, Shijun Li   +10 more
doaj   +1 more source