One Dimensional Halogen Bond Design: Br···N versus I···N with Fluoroarenes

CrystEngComm ◽  
2021 ◽  
Author(s):  
Andrew J Peloquin ◽  
Colin McMillen ◽  
William Pennington
Keyword(s):  
Halogen Bond ◽  
One Dimensional ◽  
Crystallization Experiments

A series of co-crystallization experiments were performed using 1,4-dibromo- and 1,4-diiodotetrafluorobenzene (Br2F4bz and I2F4bz), as well as 4,4’-dibromo- and 4,4’-diiodooctafluorobiphenyl (Br2F8bph and I2F8bph), with nine N-heterocyclic diamines and the bicyclic,...

Experimental electron density study of the supramolecular aggregation between 4,4′-dipyridyl-N,N′-dioxide and 1,4-diiodotetrafluorobenzene at 90 K

2004 ◽  
Vol 60 (5) ◽  
pp. 559-568 ◽  
Author(s):  
Riccardo Bianchi ◽  
Alessandra Forni ◽  
Tullio Pilati
Keyword(s):  
Electron Density ◽  
Halogen Bond ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Experimental Electron Density ◽  
Supramolecular Aggregation ◽  
Density Study

The electron density of the halogen-bonded complex of 4,4′-dipyridyl-N,N′-dioxide (bpNO) with 1,4-diiodotetrafluorobenzene (F4dIb) at 90 K has been determined by X-ray diffraction and analysed. The nature of the I...O intermolecular bond connecting the bpNO and F4dIb molecules into one-dimensional infinite chains, as well as the other non-covalent interactions present in the crystal, such as C—H...O, C—H...F and C—H...I hydrogen bonds and C...C, C...N, C...I and F...F interactions, have been investigated. The integration of electron density over the atomic basins reveals the electrostatic nature of the I...O halogen bond, which is very similar to a previously analysed I...N halogen bond.

scholarly journals C—I...N and C—I...π halogen bonding in the structures of 1-benzyliodoimidazole derivatives

2017 ◽  
Vol 73 (1) ◽  
pp. 2-8 ◽  
Author(s):  
Chideraa I. Nwachukwu ◽  
Nathan P. Bowling ◽  
Eric Bosch
Keyword(s):  
Intermolecular Interaction ◽  
Intermolecular Interactions ◽  
Halogen Bond ◽  
Three Dimensional ◽  
Functional Materials ◽  
Halogen Bonding ◽  
Dimensional Structure ◽  
Halogen Bonds ◽  
One Dimensional ◽  
X Ray

Halogen bonding is a well-established and intensively studied intermolecular interaction that has also been used in the preparation of functional materials. While polyfluoroiodo- and polyfluorobromobenzenes have been widely used as aromatic halogen-bond donors, there have been very few studies of iodoimidazoles with regard to halogen bonding. We describe here the X-ray structures of three iodoimidazole derivatives, namely 1-benzyl-2-iodo-1H-imidazole, C10H9IN2, (1), 1-benzyl-4-iodo-1H-imidazole, C10H9IN2, (2), and 1-benzyl-2-iodo-1H-benzimidazole, C14H11IN2, (3), and the halogen bonds that dominate the intermolecular interactions in each of these three structures. The three-dimensional structure of (1) is dominated by a strong C—I...N halogen bond, with an N...I distance of 2.8765 (2) Å, that connects the molecules into one-dimensional zigzag ribbons of molecules. In contrast, the three-dimensional structures of (2) and (3) both feature C—I...π halogen-bonded dimers.

scholarly journals Halogen bonding in a series of Br(CF2) n Br–DABCO adducts (n = 4, 6, 8)

2017 ◽  
Vol 73 (11) ◽  
pp. 874-879 ◽  
Author(s):  
Alan K. Brisdon ◽  
Abeer M. T. Muneer ◽  
Robin G. Pritchard
Keyword(s):  
Solid Phase ◽  
Halogen Bond ◽  
Van Der Waals ◽  
Halogen Bonding ◽  
Vapour Phase ◽  
X Ray Diffraction ◽  
Nitrogen Base ◽  
One Dimensional ◽  
X Ray ◽  
Van Der Waals Radii

Halogen bonding (XB) is a highly-directional class of intermolecular interactions that has been used as a powerful tool to drive the design of crystals in the solid phase. To date, the majority of XB donors have been iodine-containing compounds, with many fewer involving brominated analogues. We report the formation of adducts in the vapour phase from a series of dibromoperfluoroalkyl compounds, BrCF2(CF2) n CF2Br (n = 2, 4, 6), and 1,4-diazabicyclo[2.2.2]octane (DABCO). Single-crystal X-ray diffraction studies of the colourless crystals identified 1,4-diazabicyclo[2.2.2]octane–1,4-dibromoperfluorobutane (1/1), C4Br2F8·C6H12N2, (I), 1,4-diazabicyclo[2.2.2]octane–1,6-dibromoperfluorohexane (1/1), C6Br2F12·C6H12N2, (II), and 1,4-diazabicyclo[2.2.2]octane–1,8-dibromoperfluorooctane (1/1), C8Br2F16·C6H12N2, (III), each of which displays a one-dimensional halogen-bonded network. All three adducts exhibit N...Br distances less than the sum of the van der Waals radii, with butane analogue (I) showing the shortest N...Br halogen-bond distances yet reported between a bromoperfluorocarbon and a nitrogen base [2.809 (3) and 2.818 (3) Å], which are 0.58 and 0.59 Å shorter than the sum of the van der Waals radii.

A one-dimensional self-gravitating stellar gas

1966 ◽  
Vol 25 ◽  
pp. 46-48 ◽  
Author(s):  
M. Lecar
Keyword(s):  
Gravitational Field ◽  
Phase Space ◽  
Motion Picture ◽  
Space Distribution ◽  
Two Dimensional ◽  
One Dimensional ◽  
Phase Space Distribution ◽  
Dimensional Phase Space ◽  
The Mean

“Dynamical mixing”, i.e. relaxation of a stellar phase space distribution through interaction with the mean gravitational field, is numerically investigated for a one-dimensional self-gravitating stellar gas. Qualitative results are presented in the form of a motion picture of the flow of phase points (representing homogeneous slabs of stars) in two-dimensional phase space.

Electron-Mirror Microscopic Aspects of Ferroelectric Domains of BaTiO3 And Ca2Sr (C2H5CO2)6

1970 ◽  
Vol 28 ◽  
pp. 478-479
Author(s):  
Teruo Someya ◽  
Jinzo Kobayashi
Keyword(s):  
Surface Layer ◽  
Electric Fields ◽  
Quantitative Study ◽  
Recent Progress ◽  
Ferroelectric Domain ◽  
Resolving Power ◽  
Surface Pattern ◽  
Crystal Surfaces ◽  
One Dimensional ◽  
Ferroelectric Domains

Recent progress in the electron-mirror microscopy (EMM), e.g., an improvement of its resolving power together with an increase of the magnification makes it useful for investigating the ferroelectric domain physics. English has recently observed the domain texture in the surface layer of BaTiO3. The present authors ) have developed a theory by which one can evaluate small one-dimensional electric fields and/or topographic step heights in the crystal surfaces from their EMM pictures. This theory was applied to a quantitative study of the surface pattern of BaTiO3).

Structure and function of neural networks in the retina

1988 ◽  
Vol 46 ◽  
pp. 26-27
Author(s):  
Peter Sterling
Keyword(s):  
Ganglion Cells ◽  
Three Dimensional ◽  
Structure And Function ◽  
Synaptic Connections ◽  
Visual Axis ◽  
One Dimensional ◽  
Cat Retina ◽  
Ultrathin Sections ◽  
And Function ◽  
Insight Into

The synaptic connections in cat retina that link photoreceptors to ganglion cells have been analyzed quantitatively. Our approach has been to prepare serial, ultrathin sections and photograph en montage at low magnification (˜2000X) in the electron microscope. Six series, 100-300 sections long, have been prepared over the last decade. They derive from different cats but always from the same region of retina, about one degree from the center of the visual axis. The material has been analyzed by reconstructing adjacent neurons in each array and then identifying systematically the synaptic connections between arrays. Most reconstructions were done manually by tracing the outlines of processes in successive sections onto acetate sheets aligned on a cartoonist's jig. The tracings were then digitized, stacked by computer, and printed with the hidden lines removed. The results have provided rather than the usual one-dimensional account of pathways, a three-dimensional account of circuits. From this has emerged insight into the functional architecture.

Intergrowth of modulated structures in high Tc Bi-Sr-Ca-Cu-O superconductors

1990 ◽  
Vol 48 (4) ◽  
pp. 76-77
Author(s):  
A.Q. He ◽  
G.W. Qiao ◽  
J. Zhu ◽  
H.Q. Ye
Keyword(s):  
Twin Structure ◽  
Modulated Structure ◽  
High Tc ◽  
One Dimensional ◽  
Lattice Constants ◽  
Superconducting Phases ◽  
Modulated Structures ◽  
Layer Structures

Since the first discovery of high Tc Bi-Sr-Ca-Cu-O superconductor by Maeda et al, many EM works have been done on it. The results show that the superconducting phases have a type of ordered layer structures similar to that in Y-Ba-Cu-O system formulated in Bi2Sr2Can−1CunO2n+4 (n=1,2,3) (simply called 22(n-1) phase) with lattice constants of a=0.358, b=0.382nm but the length of c being different according to the different value of n in the formulate. Unlike the twin structure observed in the Y-Ba-Cu-O system, there is an incommensurate modulated structure in the superconducting phases of Bi system superconductors. Modulated wavelengths of both 1.3 and 2.7 nm have been observed in the 2212 phase. This communication mainly presents the intergrowth of these two kinds of one-dimensional modulated structures in 2212 phase.

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

Dynamics of One-Dimensional Quantum Systems

2009 ◽  
Author(s):  
Yoshio Kuramoto ◽  
Yusuke Kato
Keyword(s):  
Quantum Systems ◽  
One Dimensional
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