Results 61 to 70 of about 2,216 (186)
Chain Versus Ring: Characterization of a Meta‐Phenylene Ladder Polymer and Its Octameric Macrocycle
Chemistry – A European Journal, EarlyView.The synthesis and comprehensive spectral and photophysical analysis of a methyl‐substituted ladder meta‐phenylene macrocycle (MeLMMP) and its polymer analogue (MeLPMP) show that, despite differing topologies (macrocycle vs. polymer), both display nearly identical electronic and photophysical properties due to cross‐conjugation.
Paulo D. Nunes Barradas +4 more
wiley +1 more source
Highly-conducting molecular circuits based on antiaromaticity
Nature Communications, 2017 Antiaromatic molecules are predicted to have unusual charge transport properties, but are notoriously unstable and reactive. Here, the authors successfully fabricate an antiaromatic molecular circuit, based on a macrocyclic complex, displaying much ...
Shintaro Fujii +8 more
doaj +1 more source
Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation
, 2003 We propose a theoretical investigation in this paper to understand the bonding and structural properties of neutral Al4Na4 and anion Al4Na3- clusters.
Kanhere, Dilip. G. +2 more
core +1 more source
Large-scale first principles configuration interaction calculations of optical absorption in boron clusters [PDF]
, 2012 We have performed systematic large-scale all-electron correlated calculations on boron clusters B$_{n}$(n=2--5), to study their linear optical absorption spectra.
Shinde, Ravindra, Shukla, Alok
core +1 more source
Methylene‐Bridged Calixarene Polyhedra: An Elusive Class of Symmetric Molecular Architectures
Helvetica Chimica Acta, EarlyView.An overview of purely hypothetical methylene‐bridged calixarene polyhedral molecular architectures is presented. In addition to the five previously postulated structures, we propose a calix[5]arene‐based icosidodecahedron as a new member of this class. Computational assessments of stability and strain indicate that methanospherophane is likely the most
Aleksandr Kharchenko +3 more
wiley +1 more source
Pure Molecular Inorganic Rings: Mixed Group 14/15 Metallacycles
Angewandte Chemie, Volume 138, Issue 4, 22 January 2026.The synthesis and characterization of novel mixed group 14/15 metallacycles incorporating a transition‐metal is described. All of the presented compounds were obtained by reduction of an organometallic Mo2E2 tetrahedrane using Si(I) and Ge(I) compounds, respectively.
Stefanie Maier +5 more
wiley +2 more sources
ChemistryEuropeThe rectangular cyclobutadiene (CBD, C4H4) is a unique moiety for building nonbenzenoid polycyclic conjugated hydrocarbons with interesting electron‐accepting properties.
Yikun Zhu +4 more
doaj +1 more source
Storing the wisdom: chemical concepts and chemoinformatics [PDF]
, 2018 The purpose of the paper is to examine the nature of chemical concepts, and the ways in which they are applied in chemoinformatics systems. An account of concepts in philosophy and in the information sciences leads to an analysis of chemical concepts ...
David Bawden
core +1 more source
ChemistryOpen, EarlyView.The pictorial illustration of the applications of polymers of intrinsic microporosity extraordinary porous organic polymers with high surface areas, pore radii, pore volumes, high permeability, high diffusivity, high selectivity, and high thermal stability, as suitable filters or purifiers for water contaminated with pharmaceutical and organic dyes ...
Martins O. Omorogie
wiley +1 more source
The homotropenylium cation : a system with a pinched π ring current [PDF]
, 2014 The homotropenylium cation (1, C8H9+) is a key species in the discussion of homoaromaticity. Constrained optimisations around the minimum structure have been performed, varying the size of the gap spanned by the CH2-bridge and optimising all other ...
Baker, Jon +4 more
core +3 more sources