Results 101 to 110 of about 443,970 (323)

Chemical Characteristics of Macroscopic Pyrogenic Carbon Following Millennial-Scale Environmental Exposure

Frontiers in Environmental Science, 2020
Pyrogenic Carbon (PyC) is ubiquitous in global environments, and is now known to form a significant, and dynamic component of the global carbon cycle, with at least some forms of PyC persisting in their depositional environment for many millennia ...
Philippa L. Ascough, Fiona Brock, Margaret E. Collinson, Jon D. Painter, David W. Lane, Michael I. Bird, Michael I. Bird   +6 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., Pal, Sourav, Shetty, Sharan   +2 more
core   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source

High-Pressure Synthesis of a Pentazolate Salt

, 2016
The pentazolates, the last all-nitrogen members of the azole series, have been notoriously elusive for the last hundred years despite enormous efforts to make these compounds in either gas or condensed phases.
Crowhurst, Jonathan C., Oleynik, Ivan I., Prakapenka, Vitali B., Stavrou, Elissaios, Steele, Brad A., Zaug, Joseph M.   +5 more
core   +4 more sources

Simulating the nanomechanical response of cyclooctatetraene molecules on a graphene device [PDF]

, 2018
We investigate the atomic and electronic structures of cyclooctatetraene (COT) molecules on graphene and analyze their dependence on external gate voltage using first-principles calculations.
Cohen, Marvin L., Crommie, Michael F., Oh, Sehoon   +2 more
core   +3 more sources

Aromaticity and Antiaromaticity in Zintl Clusters.

Chemistry, 2018
Originally, the concepts of aromaticity and antiaromaticity were introduced to explain the stability and reactivity of unsaturated organic compounds.
Chao Liu, I. Popov, Zhongfang Chen, A. Boldyrev, Zhong‐Ming Sun   +4 more
semanticscholar   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

In-Depth Theoretical Investigations of Borazine’s Aromaticity: Tailoring Electron Delocalization through Substituent Effects

Molecules
The current study investigates the influence of several R substituents (e.g., Me, SiH3, F, Cl, Br, OH, NH2, etc.) on the aromaticity of borazine, also known as the “inorganic benzene”.
Alex-Cristian Tomut, Ionut-Tudor Moraru, Gabriela Nemes   +2 more
doaj   +1 more source

Effects of Structure and Partially Localization of the π Electron Clouds of Single-Walled Carbon Nanotubes on the Cation-π Interactions [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2016
A C102H30 graphene sheet has been rolled up to construct Single-Walled Carbon NanoTube Fragments (SWCNTFs) as parts of armchair carbon nanotubes by computational quantum chemistry methods.
Pouya Karimi
doaj  

1,2,3,4-Tetrahydro-1,4,5,8-tetraazaanthracene revisited: properties and structural evidence of aromaticity loss

Beilstein Journal of Organic Chemistry, 2019
The synthesis and properties of 1,2,3,4-tetrahydro-1,4,5,8-tetraazaanthracene (THTAA) – a heterocycle involving both >N–H donating and =N– accepting moieties – have been reinvestigated.
Arnault Heynderickx, Sébastien Nénon, Olivier Siri, Vladimir Lokshin, Vladimir Khodorkovsky   +4 more
doaj   +1 more source