scholarly journals π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex

2016 ◽  
Vol 45 (32) ◽  
pp. 12846-12853 ◽  
Author(s):  
Dieter Sorsche ◽  
Markus Schaub ◽  
Frank W. Heinemann ◽  
Johannes Habermehl ◽  
Susanne Kuhri ◽  
...  
Keyword(s):  
Supramolecular Interactions ◽  
Electrostatic Repulsion ◽  
Π Stacking ◽  
Model Complex ◽  
Coordination Spheres ◽  
First Time

Electrostatic repulsion between gold(iii) coordination spheres exceeds π-stacking for the first time in a tpphz-bridged dinuclear PMD model complex.

scholarly journals Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions

2021 ◽  
Author(s):  
Bahiru Punja Benke ◽  
Tobias Kirschbaum ◽  
Jürgen Graf ◽  
Michael Mastalerz
Keyword(s):  
Driving Forces ◽  
Three Dimensional ◽  
Molecular Switches ◽  
Supramolecular Interactions ◽  
Reaction Conditions ◽  
Π Stacking ◽  
Methoxy Groups ◽  
Dimensional Shape ◽  
First Time ◽  
Three Dimensional Shape

Mechanically interlocked structures, such as catenanes or rotaxanes are fascinating synthetic targets and are the basis of molecular switches and machines. Today, the vast majority of catenated structures are built upon macrocycles and only a very few examples of three?dimensional shape-persistent organic cages forming such structures are reported. However, the catenation in all these cases was based on a thermodynamically favoured π-π stacking under certain reaction conditions. Here, we present our findings that catenane formation can be driven by even less directional dispersion (Keesom) interactions of methoxy-groups during the synthesis of chiral [8+12] imine cubes, giving dimeric and also for the first time trimeric catenated organic cages. To further elucidate the underlying driving forces, twelve differently 1,4-substituted benzene dialdehydes have been reacted with a chiral triamino tribenzotriquinacene under various conditions to study whether monomeric cages or catenated cage dimers are the preferred products.

scholarly journals Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions

2021 ◽  
Author(s):  
Bahiru Punja Benke ◽  
Tobias Kirschbaum ◽  
Jürgen Graf ◽  
Michael Mastalerz
Keyword(s):  
Driving Forces ◽  
Three Dimensional ◽  
Molecular Switches ◽  
Supramolecular Interactions ◽  
Reaction Conditions ◽  
Π Stacking ◽  
Methoxy Groups ◽  
Dimensional Shape ◽  
First Time ◽  
Three Dimensional Shape

Mechanically interlocked structures, such as catenanes or rotaxanes are fascinating synthetic targets and are the basis of molecular switches and machines. Today, the vast majority of catenated structures are built upon macrocycles and only a very few examples of three?dimensional shape-persistent organic cages forming such structures are reported. However, the catenation in all these cases was based on a thermodynamically favoured π-π stacking under certain reaction conditions. Here, we present our findings that catenane formation can be driven by even less directional dispersion (Keesom) interactions of methoxy-groups during the synthesis of chiral [8+12] imine cubes, giving dimeric and also for the first time trimeric catenated organic cages. To further elucidate the underlying driving forces, twelve differently 1,4-substituted benzene dialdehydes have been reacted with a chiral triamino tribenzotriquinacene under various conditions to study whether monomeric cages or catenated cage dimers are the preferred products.

Coordination Polymers with a Bulky Perylene-Based Tetracarboxylate Ligand: Syntheses, Crystal Structures, and Luminescent Properties

2010 ◽  
Vol 63 (3) ◽  
pp. 463 ◽  
Author(s):  
Chun-Sen Liu ◽  
Min Hu ◽  
Song-Tao Ma ◽  
Qiang Zhang ◽  
Li-Ming Zhou ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Three Dimensional ◽  
Luminescent Properties ◽  
Supramolecular Interactions ◽  
Polymeric Chain ◽  
Stacking Interactions ◽  
One Dimensional ◽  
Π Stacking ◽  
Higher Dimensional ◽  
Interchain Interactions

To explore the coordination possibilities of perylene-based ligands with a larger conjugated π-system, four ZnII, MnII, and CoII coordination polymers with perylene-3,4,9,10-tetracarboxylate (ptc) and the chelating 1,10-phenanthroline (phen) ligands were synthesized and characterized: {[Zn2(ptc)(phen)2](H2O)10}∞ (1), {[Zn3(ptc)(OH)2(phen)2](H2O)3}∞ (2), {[Mn(ptc)0.5(phen)(H2O)2](H2O)1.5}∞ (3), and {[Co(ptc)0.5(phen)(H2O)2](H2O)2.5}∞ (4). Structural analysis reveals that complexes 1 and 2 both take one-dimensional polymeric chain structures with dinuclear and trinuclear units as nodes, respectively, which are further extended via the accessorial secondary interchain interactions, such as C–H···O H-bonding or aromatic π···π stacking interactions, to give rise to the relevant higher-dimensional frameworks. Compound 3 has a two-dimensional sheet structure that is further assembled to form a three-dimensional framework by interlayer π···π stacking interactions. Complex 4 is a one-dimensional ribbon-like array structure that is interlinked by the co-effects of intermolecular π···π stacking and C–H···π supramolecular interactions, resulting in a higher-dimensional framework from the different crystallographic directions. Moreover, complexes 1–4 exhibit strong solid-state luminescence emissions at room temperature, which mainly originate from intraligand π→π* transitions of ptc.

New Dynamical Mass Estimates of the beta Pictoris Planetary System Through Gaussian Process Stellar Activity Modelling

2020 ◽  
Author(s):  
Thomas Vandal ◽  
Julien Rameau ◽  
René Doyon
Keyword(s):  
Gaussian Process ◽  
Statistical Treatment ◽  
Nearby Star ◽  
Dynamical Mass ◽  
Stellar Activity ◽  
Orbital Parameters ◽  
Independent Analysis ◽  
Model Complex ◽  
Beta Pictoris ◽  
First Time

<p>Nearly 15 years of radial velocity (RV) monitoring and direct imaging (DI) enabled the detection oftwo giant planets orbiting the young, nearby star β Pictoris. The δ Scuti pulsations of the star, overwhelming planetary signals, need however to be carefully suppress. In this talk, we propose a new and independent analysis of the system, making use of all available data, including photometric light curve from the ground and space, long term RV and DI monitoring. We demonstrate how all data can be consistently modelled in a Bayesian framework. We show how modern and physically motivated kernels for Gaussian Process can effectively model complex stellar activity. Using further carefull statistical treatment of the data to extend the monitoring, we detect both planets from RV data only for the first time. To characterize the system more accurately, we also perform a joint fit of <br />all available relative astrometry and RV data. We provide precise orbital parameters and discuss the whole system architecture. The inferred dynamical mass measurements for both planets are also compared to mass-luminosity evolutionary tracks. This work opens the path towards a precise characterization of young planetary systems combing photometry, spectroscopy, and astrometry.</p>

scholarly journals Influence of perylenediimide–pyrene supramolecular interactions on the stability of DNA-based hybrids: Importance of electrostatic complementarity

2014 ◽  
Vol 10 ◽  
pp. 1589-1595 ◽  
Author(s):  
Christian B Winiger ◽  
Simon M Langenegger ◽  
Oleg Khorev ◽  
Robert Häner
Keyword(s):  
Double Helix ◽  
Building Blocks ◽  
Supramolecular Interactions ◽  
Stacking Interactions ◽  
Average Value ◽  
Π Stacking ◽  
Dna Strands ◽  
Polycyclic Aromatic ◽  
The Stability ◽  
Dna Double Helix

Aromatic π–π stacking interactions are ubiquitous in nature, medicinal chemistry and materials sciences. They play a crucial role in the stacking of nucleobases, thus stabilising the DNA double helix. The following paper describes a series of chimeric DNA–polycyclic aromatic hydrocarbon (PAH) hybrids. The PAH building blocks are electron-rich pyrene and electron-poor perylenediimide (PDI), and were incorporated into complementary DNA strands. The hybrids contain different numbers of pyrene–PDI interactions that were found to directly influence duplex stability. As the pyrene–PDI ratio approaches 1:1, the stability of the duplexes increases with an average value of 7.5 °C per pyrene–PDI supramolecular interaction indicating the importance of electrostatic complementarity for aromatic π–π stacking interactions.

scholarly journals Semantic Geometric Modelling of Unstructured Indoor Point Cloud

2018 ◽  
Vol 8 (1) ◽  
pp. 9 ◽  
Author(s):  
Wenzhong Shi ◽  
Wael Ahmed ◽  
Na Li ◽  
Wenzheng Fan ◽  
Haodong Xiang ◽  
...  
Keyword(s):  
Point Cloud ◽  
Laser Scanner ◽  
Synthetic Data ◽  
Real Data ◽  
Wall Surface ◽  
Building Models ◽  
Model Complex ◽  
Indoor Scenes ◽  
Novel Method ◽  
First Time

A method capable of automatically reconstructing 3D building models with semantic information from the unstructured 3D point cloud of indoor scenes is presented in this paper. This method has three main steps: 3D segmentation using a new hybrid algorithm, room layout reconstruction, and wall-surface object reconstruction by using an enriched approach. Unlike existing methods, this method aims to detect, cluster, and model complex structures without having prior scanner or trajectory information. In addition, this method enables the accurate detection of wall-surface “defacements”, such as windows, doors, and virtual openings. In addition to the detection of wall-surface apertures, the detection of closed objects, such as doors, is also possible. Hence, for the first time, the whole 3D modelling process of the indoor scene from a backpack laser scanner (BLS) dataset was achieved and is recorded for the first time. This novel method was validated using both synthetic data and real data acquired by a developed BLS system for indoor scenes. Evaluating our approach on synthetic datasets achieved a precision of around 94% and a recall of around 97%, while for BLS datasets our approach achieved a precision of around 95% and a recall of around 89%. The results reveal this novel method to be robust and accurate for 3D indoor modelling.

Design, synthesis and evaluation of a novel π–π stacking nano-intercalator as an anti-tumor agent

MedChemComm ◽  
2016 ◽  
Vol 7 (2) ◽  
pp. 247-257 ◽  
Author(s):  
Haimei Zhu ◽  
Yuanbo Song ◽  
Yuji Wang ◽  
Ming Zhao ◽  
Yi Ren ◽  
...  
Keyword(s):  
Design Synthesis ◽  
Π Stacking ◽  
First Time ◽  
Tumor Agent

A strategy for designing safe and effective π–π stacking nano-intercalators as anti-tumor agents was presented for the first time.

scholarly journals Structure of a push–pull olefin prepared by ynamine hydroboration with a borandiol ester

2020 ◽  
Vol 76 (5) ◽  
pp. 710-714
Author(s):  
Joël Gubler ◽  
Peter Chen
Keyword(s):  
Title Compound ◽  
Bond Lengths ◽  
Π Stacking ◽  
Acceptor Group ◽  
First Time

N-[(Z)-2-(2H-1,3,2-Benzodioxaborol-2-yl)-2-phenylethenyl]-N-(propan-2-yl)aniline, C23H22BNO2, contains a C=C bond that is conjugated with a donor and an acceptor group. An analysis that included similar push–pull olefins revealed that bond lengths in their B—C=C—N core units correlate with the perceived acceptor and donor strength of the groups. The two phenyl groups in the molecule are rotated with respect to the plane that contains the BCCN atoms, and are close enough for significant π-stacking. Definite characterization of the title compound demonstrates, for the first time in a reliable way, that hydroboration of ynamines with borandiol esters is feasible. Compared to olefin hydroboration with borane, the ynamine substrate is activated enough to undergo reaction with the less active hydroboration reagent catecholborane.

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