Two-Dimensional Self-Assembled Molecular Structures Formed by the Competition of van der Waals Forces and Dipole–Dipole Interactions

2011 ◽  
Vol 116 (1) ◽  
pp. 1061-1069 ◽  
Author(s):  
Li Xu ◽  
Xinrui Miao ◽  
Xiao Ying ◽  
Wenli Deng
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Molecular Structures ◽  
Two Dimensional ◽  
Dipole Interactions ◽  
Self Assembled

Self-Assembly of a Chiral Cubic Three-Connected Net from the High Symmetry Molecules C60 and SnI4

2020 ◽  
Author(s):  
Daniel B. Straus ◽  
Robert J. Cava
Keyword(s):  
Organic Synthesis ◽  
Self Assembly ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
High Symmetry ◽  
Molecular Chirality ◽  
Chiral Materials ◽  
Self Assembled ◽  
Chiral Centers

The design of new chiral materials usually requires stereoselective organic synthesis to create molecules with chiral centers. Less commonly, achiral molecules can self-assemble into chiral materials, despite the absence of intrinsic molecular chirality. Here, we demonstrate the assembly of high-symmetry molecules into a chiral van der Waals structure by synthesizing crystals of C<sub>60</sub>(SnI<sub>4</sub>)<sub>2</sub> from icosahedral buckminsterfullerene (C<sub>60</sub>) and tetrahedral SnI4 molecules through spontaneous self-assembly. The SnI<sub>4</sub> tetrahedra template the Sn atoms into a chiral cubic three-connected net of the SrSi<sub>2</sub> type that is held together by van der Waals forces. Our results represent the remarkable emergence of a self-assembled chiral material from two of the most highly symmetric molecules, demonstrating that almost any molecular, nanocrystalline, or engineered precursor can be considered when designing chiral assemblies.

The Difference of Serum Protein Transport between Echinosides and Verbascoside

2020 ◽  
Vol 42 (3) ◽  
pp. 369-369
Author(s):  
Ming Guo Ming Guo ◽  
Xiaoxue Zhao Xiaoxue Zhao ◽  
Peter E Brodelius Peter E Brodelius ◽  
Ling Fang Ling Fang ◽  
Zhihong Sun and Rui Wang Zhihong Sun and Rui Wang
Keyword(s):  
Molecular Modeling ◽  
Hydrogen Bonds ◽  
Serum Albumin ◽  
Protein Transport ◽  
Van Der Waals ◽  
Hydrolysis Product ◽  
Van Der Waals Forces ◽  
Molecular Structures ◽  
Hydrophobic Force ◽  
Binding Characteristics

Verbascoside (VER) is the enzymatic hydrolysis product of echinacoside (ECH). The molecular structures of ECH and VER have different glucosyl groups so they bind to serum albumin in different ways, resulting in different pharmacological actions. In this report, we have examined the binding characteristics between human serum albumin (HSA) and ECH/VER by molecular modeling and spectroscopic approaches. Molecular modeling revealed that VER bound to HSA mainly through hydrogen bonds, van der Waals forces and hydrophobic forces. The spectroscopic results showed that the interactions between HSA and VER/ECH involved a static binding process, and the bonding strength of the VER-HSA complex was stronger than that of the ECH-HSA complex. The value of the binding distances (r) was low, which indicated the occurrence of energy transfer. The reaction conformational pattern of HSA-VER and HSA-ECH gave a “two-state model” based on fluorescent phase diagram analysis. According to the thermodynamic model, the main forces between interaction of VER and HSA were hydrogen bonds and van der Waals forces, whereas the interaction between ECH and HSA was hydrophobic force. The fluorescence polarization analysis demonstrated that the interaction between HSA and VER or ECH generated a non-covalent complex. Compared with ECH, VER was more likely to bind with HSA because of its smaller molecular size and low polarity. The results of the spectral analysis concurred with the molecular modeling data, which provides a helpful reference for the study of the molecular reaction mechanism of VER/ECH binding to HSA.

Cyclische Diazastannylene, XVIII [1]Zur Frage der Bindungsbeschreibung in Polyedern des Typs Sn4X3Y:Die Kristall-und Molekülstrukturen von Sn4(NtBu)4 und Sn4(NtBu)3O / Cyclic Diazastannylenes, XVIII [1]Bonding Description in Polyhedra of the Sn4X3Y-Type:The Crystal and Molecular Structures of Sn4(NtBu)4 and Sn4(NtBu)3O

1983 ◽  
Vol 38 (9) ◽  
pp. 1054-1061 ◽  
Author(s):  
M. Veith ◽  
O. Recktenwald
Keyword(s):  
Van Der Waals ◽  
Structural Data ◽  
Van Der Waals Forces ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Structural Elements ◽  
Triclinic Space Group ◽  
Space Group ◽  
O 213.2 ◽  
Crystal And Molecular Structures

Abstract Crystals of Sn4(NtBu)4 (1) are monoclinic, space group P21/c, with cell constants a = 1038.9(4), b = 1468.3(5), c = 1698.8(5) pm, β = 91.6(1)° and Z = 4, while those of Sn4(NtBu)3O (2) are triclinic, space group P 1̄, with dimensions a = 1293.0(5), b = 1027.1(5), c = 1716.7(9) pm, α = 90.9(1), β = 102.5(1), γ = 107.0(1)° and Z = 4. The molecules 1 are held together by van-der-Waals forces, whereas two molecules 2 interact in the crystal by weak 0→Sn donor bonds (290-332 pm) forming dimers. The outstanding structural elements of 1 and 2 are the Sn4N4 and Sn4N3O polyhedra, which can be described by two interpenetrating tetrahedra of tin atoms and of nitrogen or nitrogen and oxygen atoms forming a distorted cube, which approaches 4̄3 m symmetry in the case of 1 and 3m for 2. Characteristic distances are in 1: Sn-N 220.2 pm, in 2: Sn-N 221.3 pm and Sn-O 213.2 pm. An almost ionic bonding model and two covalent models are discussed on the basis of the structural data including Sn4(NtBu)3OAlMe3.

scholarly journals Surface energy and wettability of van der Waals structures

Nanoscale ◽  
2016 ◽  
Vol 8 (10) ◽  
pp. 5764-5770 ◽  
Author(s):  
Meenakshi Annamalai ◽  
Kalon Gopinadhan ◽  
Sang A. Han ◽  
Surajit Saha ◽  
Hye Jeong Park ◽  
...  
Keyword(s):  
Surface Energy ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Layered Materials ◽  
2D Layered Materials ◽  
Dipole Interactions

Our study shows that the surface energy of all 2D layered materials is undoubtedly dominated by London–van der Waals forces with little contribution from dipole–dipole interactions.

scholarly journals Rotational superstructure in van der Waals heterostructure of self-assembled C60 monolayer on the WSe2 surface

Nanoscale ◽  
2017 ◽  
Vol 9 (35) ◽  
pp. 13245-13256 ◽  
Author(s):  
Elton J. G. Santos ◽  
Declan Scullion ◽  
Ximo S. Chu ◽  
Duo O. Li ◽  
Nathan P. Guisinger ◽  
...  
Keyword(s):  
Organic Molecules ◽  
Van Der Waals ◽  
Layered Materials ◽  
Two Dimensional ◽  
2D Layered Materials ◽  
Van Der Waals Heterostructure ◽  
Enhanced Properties ◽  
Optoelectronic Applications ◽  
Self Assembled ◽  
And Performance

Hybrid van der Waals (vdW) heterostructures composed of two-dimensional (2D) layered materials and self-assembled organic molecules are promising systems for electronic and optoelectronic applications with enhanced properties and performance.

Self-Assembly of a Chiral Cubic Three-Connected Net from the High Symmetry Molecules C60 and SnI4

2020 ◽  
Author(s):  
Daniel B. Straus ◽  
Robert J. Cava
Keyword(s):  
Organic Synthesis ◽  
Self Assembly ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
High Symmetry ◽  
Molecular Chirality ◽  
Chiral Materials ◽  
Self Assembled ◽  
Chiral Centers

The design of new chiral materials usually requires stereoselective organic synthesis to create molecules with chiral centers. Less commonly, achiral molecules can self-assemble into chiral materials, despite the absence of intrinsic molecular chirality. Here, we demonstrate the assembly of high-symmetry molecules into a chiral van der Waals structure by synthesizing crystals of C<sub>60</sub>(SnI<sub>4</sub>)<sub>2</sub> from icosahedral buckminsterfullerene (C<sub>60</sub>) and tetrahedral SnI4 molecules through spontaneous self-assembly. The SnI<sub>4</sub> tetrahedra template the Sn atoms into a chiral cubic three-connected net of the SrSi<sub>2</sub> type that is held together by van der Waals forces. Our results represent the remarkable emergence of a self-assembled chiral material from two of the most highly symmetric molecules, demonstrating that almost any molecular, nanocrystalline, or engineered precursor can be considered when designing chiral assemblies.

Molecular structures and conformations of three 3-azabicyclononanes

1999 ◽  
Vol 55 (5) ◽  
pp. 793-798 ◽  
Author(s):  
D. Kumaran ◽  
M. N. Ponnuswamy ◽  
G. Shanmugam ◽  
S. Ponnuswamy ◽  
R. Jeyaraman ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Molecular Geometry ◽  
Van Der Waals Forces ◽  
Chair Conformation ◽  
Ring System ◽  
Molecular Structures ◽  
Piperidine Ring ◽  
Equatorial Orientation ◽  
Space Groups ◽  
Phenyl Rings

The structure, conformation, molecular geometry and the mode of packing of 7-tert-butyl-N-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane (C25H33N; MTABN), N-acetyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol (C23H29NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair–chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C—H...O type interactions are involved in the packing.

1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

2012 ◽  
Vol 68 (6) ◽  
pp. o213-o215
Author(s):  
Neudo Urdaneta ◽  
Jesús Nuñez ◽  
Teresa González ◽  
Alexander Briceño
Keyword(s):  
Crystal Structure ◽  
Self Assembly ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Π Interactions ◽  
Methyl Methyl ◽  
Self Organized ◽  
Dipole Interactions ◽  
Dimensional Network

In both title compounds, C10H13BO3S, (I), and C13H17BO3, (II), the molecules adopt nearly planar conformations. The crystal packing of (I) consists of a supramolecular two-dimensional network with a herringbone-like topology formed by self assembly of centrosymmetric pairs of molecules linkedviadipole–dipole interactions. The crystal structure of (II) consists of a supramolecular two-dimensional network built up from centrosymmetric pairs of moleculesviaπ–π interactions. These pairs of molecules are self-organized in an offset fashion related by a symmetry centre, generating supramolecular ribbons running along the [101] direction. Neighbouring ribbons are stackedviacomplementary van der Waals and hydrophobic methyl–methyl interactions.

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