Accounting for π–π stacking interactions in the mesoscopic models of conjugated polymers

2020 ◽  
Vol 5 (6) ◽  
pp. 1137-1146 ◽  
Author(s):  
Vladimir Yu. Rudyak ◽  
Alexey A. Gavrilov ◽  
Daria V. Guseva ◽  
Shih-Huang Tung ◽  
Pavel V. Komarov
Keyword(s):  
Conjugated Polymers ◽  
Self Assembly ◽  
Conjugated Polymer ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Polymer Molecules ◽  
Mesoscopic Models ◽  
Lamellar Morphology ◽  
Π Stacking

Accounting for π–π interactions between conjugated polymer molecules via dynamic bonds allows their self-assembly into a lamellar morphology with π–π stacks.

Self-assembly of a Novel Three-dimensional Silver(I) Supramolecular Framework from Cationic Chains and Anionic Sheets

2010 ◽  
Vol 65 (2) ◽  
pp. 152-156
Author(s):  
Di Sun ◽  
Cheng-Feng Yang ◽  
Zhan-Hua Wei ◽  
Geng-Geng Luo ◽  
Na Zhang ◽  
...  
Keyword(s):  
Thermal Properties ◽  
Hydrogen Bonds ◽  
Self Assembly ◽  
Room Temperature ◽  
Three Dimensional ◽  
Supramolecular Framework ◽  
Π Interactions ◽  
Π Stacking ◽  
Benzenedicarboxylic Acid

A new three-dimensional (3D) supramolecular framework, [Ag2(bipy)2(bdc)·4H2O]n 1, has been synthesized by the ultrasonic reaction of Ag2O, bipy and H2bdc (H2bdc = 1,4-benzenedicarboxylic acid; bipy = 4,4’-bipyridine) at room temperature. It exhibits a new 3D supramolecular framework which is built from cationic Ag-bipy chains and anionic bdc-H2O sheets through hydrogen bonds, π · · ·π stacking and C-H· · ·π interactions. Additionally, the photoluminescent and thermal properties of 1 were investigated.

Circularly polarized luminescence of chiral 1,8-naphthalimide-based pyrene fluorophore induced via supramolecular self-assembly

2017 ◽  
Vol 5 (24) ◽  
pp. 6030-6036 ◽  
Author(s):  
Shuai Liu ◽  
Fei Li ◽  
Yuxiang Wang ◽  
Xiaojing Li ◽  
Chengjian Zhu ◽  
...  
Keyword(s):  
Self Assembly ◽  
Stacking Interactions ◽  
Aggregate State ◽  
Circularly Polarized ◽  
Π Stacking ◽  
Circularly Polarized Luminescence ◽  
Polarized Luminescence

Chiral 1,8-naphthalimide-based enantiomers incorporating d/l-alanine and pyrene fluorophore moieties can exhibit strong CPL signals in the aggregate state due to supramolecular self-assembly via strong π–π stacking interactions.

scholarly journals Solvent-dependent self-assembly and ordering in slow-drying drop-cast conjugated polymer films

2015 ◽  
Vol 3 (38) ◽  
pp. 9842-9848 ◽  
Author(s):  
Kui Zhao ◽  
Xinhong Yu ◽  
Ruipeng Li ◽  
Aram Amassian ◽  
Yanchun Han
Keyword(s):  
Thin Films ◽  
Conjugated Polymers ◽  
Charge Transport ◽  
Polymer Films ◽  
Self Assembly ◽  
Conjugated Polymer ◽  
Optoelectronic Properties ◽  
Microstructure Development ◽  
Mechanistic Understanding ◽  
Semiconducting Thin Films

The mechanistic understanding of the intrinsic molecular self-assembly of conjugated polymers is of immense importance to control the microstructure development in organic semiconducting thin films, with a meaningful impact on charge transport and optoelectronic properties.

scholarly journals 2,3-Dimethylquinazolin-4(3H)-one

2014 ◽  
Vol 70 (7) ◽  
pp. o788-o788
Author(s):  
Fozil E. Saitkulov ◽  
Azamat A. Tashniyazov ◽  
Azimjon A. Mamadrahimov ◽  
Kh. M. Shakhidoyatov
Keyword(s):  
Hydrogen Bonds ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Interactions ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Title Molecule

The non-H atoms of the title molecule, C10H10N2O, are essentially coplanar, with a maximum deviation of 0.046 (4) Å for the O atom. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along [010]. In addtion, weak C—H...π interactions and π–π stacking interactions between benzene and pyrimidine rings, with a centroid–centroid distance of 3.730 (3) Å, link the chains, forming a two-dimensional network parallel to (001).

scholarly journals Crystal structure of 2-(adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-oxadiazole

2014 ◽  
Vol 70 (12) ◽  
pp. o1231-o1232 ◽  
Author(s):  
Nourah Z. Alzoman ◽  
Ali A. El-Emam ◽  
Hazem A. Ghabbour ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Π Interactions ◽  
Π Stacking ◽  
Title Molecule

In the title molecule, C18H19BrN2O, the benzene ring is inclined to the oxadiazole ring by 10.44 (8)°. In the crystal, C—H...π interactions link the molecules in a head-to-tail fashion, forming chains extending along thec-axis direction. The chains are further connected by π–π stacking interactions, with centroid–centroid distances of 3.6385 (7) Å, forming layers parallel to thebcplane.

scholarly journals Different N—H...π interactions in two indole derivatives

2016 ◽  
Vol 72 (5) ◽  
pp. 699-703 ◽  
Author(s):  
Jamie R. Kerr ◽  
Laurent Trembleau ◽  
John M. D. Storey ◽  
James L. Wardell ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Intermolecular Interaction ◽  
Aromatic Ring ◽  
Stacking Interactions ◽  
Indole Derivatives ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Π Stacking

We describe the syntheses and crystal structures of two indole derivatives, namely 6-isopropyl-3-(2-nitro-1-phenylethyl)-1H-indole, C19H20N2O2, (I), and 2-(4-methoxyphenyl)-3-(2-nitro-1-phenylethyl)-1H-indole, C23H20N2O3, (II); the latter crystallizes with two molecules (AandB) with similar conformations (r.m.s. overlay fit = 0.139 Å) in the asymmetric unit. Despite the presence of O atoms as potential acceptors for classical hydrogen bonds, the dominant intermolecular interaction in each crystal is an N—H...π bond, which generates chains in (I) andA+AandB+Binversion dimers in (II). A different aromatic ring acts as the acceptor in each case. The packing is consolidated by C—H...π interactions in each case but aromatic π–π stacking interactions are absent.

scholarly journals catena-Poly[bis(4-methylbenzylammonium) [[dibromidocadmate(II)]-di-μ-bromido]]

IUCrData ◽  
2018 ◽  
Vol 3 (5) ◽  
Author(s):  
Ramkumar Aarthi ◽  
Aravazhi Amalan Thiruvalluvar ◽  
Chidambaram Ramachandra Raja
Keyword(s):  
Hydrogen Bonds ◽  
Mirror Symmetry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Inorganic Hybrid ◽  
Π Interactions ◽  
Π Stacking ◽  
Benzene Rings

The asymmetric unit of the centrosymmetric organic–inorganic hybrid salt, {(C8H12N)2[CdBr4]} n , comprises of one 4-methylbenzylammonium cation and one half of a disordered [CdBr4]2− anion that is completed by application of mirror symmetry. The resulting CdBr6 octahedra share edges to form 2 ∞[CdBr4/2Br2/2]2− layers parallel to the ac plane. Cations and anions are connected by N—H...Br and C—H...Br hydrogen bonds. No π–π stacking interactions are observed between the benzene rings, but C—H...π interactions towards them are found.

scholarly journals 1-Chloro-2-(4-phenylpiperazin-1-yl)ethanone

2009 ◽  
Vol 65 (6) ◽  
pp. o1211-o1211
Author(s):  
Yong-Ji Xu ◽  
Fei Jing
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Starting Material ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Piperazine Derivative ◽  
Centroid Distance

The title compound, C12H15ClN2O, is a piperazine derivative with the potential for use as a starting material for pharmaceutial and agrochemical applications. The structure is stabilized by C—H...O hydrogen bonds, C—H...π interactions and π–π stacking interactions [centroid–centroid distance = is 4.760 (2) Å].

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