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The impact of tensorial temperature on equilibrium thermodynamics

20.06.2018 | Marcello Sega; Pál Jedlovszky, Physical Chemistry Chemical Physics, 2018

Thermodynamic temperature is a scalar. However, the connection with the kinetic energy tensor in statistical mechanics leaves open the possibility to define a tensorial temperature. This concept has sometimes been used to simulate isothermal conditions in out-of-equilibrium systems. Here, we ...


The Triple Role of Rongalite in Aminosulfonylation of Aryldiazonium Tetrafluoroborates: Synthesis of N-aminosulfonamides via a Radical Coupling Reaction

20.06.2018 | Miao Wang; Bo-Cheng Tang; Jun-Gang Wang; Jia-Chen Xiang; Ao-Yu Guan; Ping-Ping Huang; Wu-Yinzheng Guo; Yan-Dong WU; ..., Chemical Communication, 2018

A simple and convenient method for N-aminosulfonamide synthesis from the cross-coupling of aryldiazonium tetrafluoroborates and rongalite under metal-free, oxidant-free, and room-temperature conditions is reported. This method does not require an external amine source, with the aryldiazonium ...


Formation of ozone by solid state reactions

20.06.2018 | Lahouari Krim; Mindaugas Jonusas; Jean-Louis Lemaire; Gianfranco Vidali, Physical Chemistry Chemical Physics, 2018

We studied the isotopic composition of ozone formed at low (3-10K) temperature via O+O2 solid state reactions using a partially dissociated 16O/16O2:18O/18O2=1:1 mixture. The ozone ice has an isotopic abundance that differs from a statistical one and from gas phase studies. Ozone formation is ...


Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer

20.06.2018 | Rosaria Bruno; Nadia Marino; Lucia Bartella; Leonardo Di Donna; Giovanni De Munno; Emilio Pardo; Donatella Armentano, Chemical Communication, 2018

We report a new chiral coordination polymer, prepared from the cytidine 5′-monophosphate (CMP) nucleotide, capable of separating efficiently (enantiomeric excess of ca. 100%) racemic mixtures of l- and d-Asp in a temperature-dependent manner. The crystal structure of the host–guest adsorbate, ...


Heteroleptic Cu(I) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands - An experimental and theoretical study of their photophysical properties

20.06.2018 | Iván Alonso González-Pavez; Marco Antonio Henriquez; Diego Cortés-Arriagada; Mirco Natali; Constantin ..., New Journal of Chemistry, 2018

Four new mixed ligand Cu(I) complexes bearing methoxycarbonyl imidoyl-indazole and bis[2-(diphenylphosphino)-phenyl]ether (POP) ligands were synthesized and characterized by variable-temperature NMR, FT-IR, EA and HRMS. For three of them, the molecular structures were obtained by X-ray ...


Interactions between H-bonded [CuII3([small mu ]3-OH)] triangles; a combined magnetic susceptibility and EPR study

20.06.2018 | Logesh Mathivathanan; Athanassios K. Boudalis; Philippe Turek; Michael Pissas; Yiannis Sanakis; Raphael G. Raptis, Physical Chemistry Chemical Physics, 2018

The X-ray crystal structure of the CuII complex [Cu3(μ3-OH)(μ-pz)3(PhCOO)3]− (pz− = pyrazolato anion) shows an isosceles triangular core, further forming a hexanuclear H-bonded aggregate. Cleavage of the H-bonds in solution results in isolated trinuclear species. Analysis of variable temperature ...


An air and moisture tolerant iminotrihydroquinoline-ruthenium(II) catalyst for the transfer hydrogenation of ketones

20.06.2018 | Jiaoyan Li; Yingmiao Ma; Zheng Wang; Qingbin Liu; Gregory A. Solan; Yanping Ma; Wen-Hua Sun, Dalton Transactions, 2018

Reaction of 8-amino-5,6,7,8-tetrahydroquinoline with RuCl2(PPh3)3 at room temperature affords the ruthenium(ii) chelate (8-NH2-C9H10N)RuCl2(PPh3)2 (E), in which the two triphenylphosphine ligands are disposed mutually cis. By contrast, when the reaction is performed at reflux ligand ...


SECM/SKP and SVET studies on mitigation of N80 steel corrosion by some polymers

20.06.2018 | Hongwei Feng; Ambrish Singh; Yuanpeng Wu; Yuanhua Lin, New Journal of Chemistry, 2018

Three polymers, namely PAMPS (P1), P(AMPS-co-NVP) (P2) and P(AMPS-co-DMC) (P3), synthesized by common solution polymerization (CSP) were investigated as corrosion inhibitors for N80 steel in 3.5 wt% NaCl flooded with CO2 by high temperature high pressure (HPHT) weight loss, electrochemical ...


Structure and the way to synthesis of organic crystalline polymers: Hints from the ab-initio computation

20.06.2018 | Vadim Brazhkin; Nikolay A. Nikolaev; Yuri M. Shulga; Yulia B. Lebed; Mikhail Kondrin, CrystEngComm, 2018

We consider different structures, which can be obtained by polymerization of aromatic organic molecules under high pressures and high temperature. Properties of these phases are analyzes by first principle computations. The calculated optical absorption spectra demonstrate complicated structure ...


The CO2 capturing ability of cellulose dissolved in NaOH(aq) at low temperature

20.06.2018 | Maria Gunnarsson; Diana Bernin; Åsa Östlund; Merima Hasani, Green Chemistry, 2018

Herein, we explore the intrinsic ability of cellulose dissolved in NaOH(aq) to reversibly capture CO2. The stability of cellulose solutions differed significantly when adding CO2 prior or after the dissolution of cellulose. ATR-IR spectroscopy on cellulose regenerated from the solutions, using ...


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