Publications related to Tetrahedral molecular geometry

Synthesis and investigation of the thermal proper- ties of [Co(N H-3)(6)] [Co(C2O4)(3)]center dot 3H(2)O and [Ir(NH3)(6)][Ir(C2O4)(3)]

Ilia Kochetygov

The complexes [Co (NH3)(6)][Ir (C2O4)(3)] and [Ir(NH3)(6)][Co (C2O4)(3)center dot H2O have previously been synthesized and their thermal properties studied. The [Ir(NH3)(6)][Ir(C2O4)(3)] and [Co(NH3)(6)][Co(C2O4)(3)]center dot 3H(2)O complexes considered h ...

INT UNION CRYSTALLOGRAPHY2022

Schiff base ligands derived from 1,2-bis(2 '-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(II) complexes: synthesis, characterization, X-ray structures and computational studies

Rosario Scopelliti

1,2-Bis(2'-nitrophenoxy)-3-R-benzenes {R = H (1), CH3 (2) and OCH3 (3)} have been prepared from the S-N-Ar reaction between 1-fluoro-2-nitrobenzene and 3-R-catechol (aromatic diol), and are then reduced to the corresponding diamines 1,2-bis(2'-aminophenoxy ...

ROYAL SOC CHEMISTRY2021

Seamless integration of design and Kirchhoff-Love shell analysis using analysis-suitable unstructured T-splines

Xiaodong Wei, Deepesh Toshniwal

Analysis-suitable T-splines (ASTS) including both extraordinary points and T-junctions are used to solve Kirchhoff-Love shell problems. Extraordinary points are required to represent surfaces with arbitrary topological genus. T-junctions enable local refin ...

ELSEVIER SCIENCE SA2020

Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy

Alfredo Pasquarello, Oleg Yazyev

Combining experimental and ab initio core-level photoelectron spectroscopy (periodic DFT and quantum chemistry calculations), we elucidated how ammonia molecules bond to the hydroxyls of the (H,OH)-Si(001) model surface at a temperature of 130 K. Indeed, t ...

AMER CHEMICAL SOC2020

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

David Lyndon Emsley, Jacques-Edouard Moser, Aaron James Rossini, Dominik Józef Kubicki, Moreno Lelli, Etienne Christophe Socie, Gabriele Stevanato, Claudia Esther Avalos

Identifying and characterizing systems that generate well-defined states with large electron spin polarization is of high interest for applications in molecular spintronics, high-energy physics, and magnetic resonance spectroscopy. The generation of electr ...

2020

Energy and orientation independence of the channel branching in Ne* + ND3 chemi-ionisation

Andreas Osterwalder, Sean Dennis Steven Gordon

Collisions of excited neon atoms with ammonia molecules can lead to two reaction processes, dissociative ionisation and Penning ionisation. Both processes result in the ionisation of the ammonia molecule and redistribution of the electronic energy into the ...

2019

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

Xiaoqing Jiang, Ulf Anders Hagfeldt

The development of facilely synthesized, dopant-free hole-transporting materials (HTMs) with high efficiency is of great significance for the potential application of perovskite solar cells (PSCs). Herein, we report two novel indolo[3,2-b]carbazole (ICZ) b ...

ROYAL SOC CHEMISTRY2019

Crystallization of gas-selective nanoporous graphene by competitive etching and growth: a modeling study

Kumar Varoon Agrawal, Soumajit Dutta

A robust synthesis methodology for crystallizing nanoporous single-layer graphene hosting a high density of size-selective nanopores is urgently needed to realize the true potential of two-dimensional membranes for gas separation. Currently, there are no c ...

2019

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Tetrahedral molecular geometry

Mechanistic Insight into Supramolecular Polymerization in Water Tunable by Molecular Geometry

Synthesis and investigation of the thermal proper- ties of [Co(N H-3)(6)] [Co(C2O4)(3)]center dot 3H(2)O and [Ir(NH3)(6)][Ir(C2O4)(3)]

Monomeric Fe Species in Square Planar Geometry Active for Low Temperature NH3-SCR of NO

Schiff base ligands derived from 1,2-bis(2 '-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(II) complexes: synthesis, characterization, X-ray structures and computational studies

Seamless integration of design and Kirchhoff-Love shell analysis using analysis-suitable unstructured T-splines

Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

Energy and orientation independence of the channel branching in Ne* + ND3 chemi-ionisation

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

Crystallization of gas-selective nanoporous graphene by competitive etching and growth: a modeling study

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Mechanistic Insight into Supramolecular Polymerization in Water Tunable by Molecular Geometry

Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy

Schiff base ligands derived from 1,2-bis(2 '-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(II) complexes: synthesis, characterization, X-ray structures and computational studies

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

Monomeric Fe Species in Square Planar Geometry Active for Low Temperature NH3-SCR of NO

Energy and orientation independence of the channel branching in Ne* + ND3 chemi-ionisation

Seamless integration of design and Kirchhoff-Love shell analysis using analysis-suitable unstructured T-splines

Synthesis and investigation of the thermal proper- ties of [Co(N H-3)(6)] [Co(C2O4)(3)]center dot 3H(2)O and [Ir(NH3)(6)][Ir(C2O4)(3)]

Crystallization of gas-selective nanoporous graphene by competitive etching and growth: a modeling study

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical