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784 Newest Publications about the topic bromine

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FDHALO17: The anomalous Halogen Bonding Interactions between Chlorine and Bromine with Water in Clathrate Hydrates

17-Mar-2017 | Hana Dureckova; Tom Woo; Konstantin Udachin; John A Ripmeester; Saman Alavi, Faraday Discussions, 2017

Clathrate hydrate phases of Cl2 and Br2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these structures, the water oxygen-halogen atom distances are determined to be ...

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A Benchmark Study of Kinetic Isotope Effects and Barrier Heights for the Finkelstein Reaction

15-Mar-2017 | Szymon Żaczek; Faina Gelman; Agnieszka Dybala-Defratyka, Journal of Physical Chemistry A, 2017

Herein, we present a combined (experimental and computational) study of the Finkelstein reaction in condensed phase, where bromine is substituted by iodine in 2-bromoethylbenzene, in the presence of either acetone or acetonitrile as a solvent. Performance of various density functional theory and ...

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Chiral N,N’-Dioxide-Sc(NTf2)3 Complex-Catalyzed Asymmetric Bromoamination of Chalones with N-Bromosuccinimide as Both Bromine and Amide Sources

09-Mar-2017 | Zhengmeng Wang; Lili Lin; Pengfei Zhou; Xiaohua Liu; Xiaoming Feng, Chemical Communication, 2017

The catalytic asymmetric bromoamination of chalcones with N-bromosuccinimide as both bromine and amide sources was realized by using a chiral N,N’-dioxide-Sc(NTf2)3 complex as the efficient catalyst. The corresponding chiral bromoamination products were obtained in high yields with high dr and ...

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All-Conjugated, All-Crystalline Donor–Acceptor Block Copolymers P3HT-b-PNDIT2 via Direct Arylation Polycondensation

28-Feb-2017 | Fritz Nübling; Hartmut Komber; Michael Sommer, Macromolecules, 2017

The synthesis and characterization of all-conjugated, all-crystalline donor–acceptor block copolymers (BCPs) containing poly(3-hexylthiophene) (P3HT) and poly{[N,N′-bis(2-octyldodecyl)naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5′-(2,2′-bithiophene)} (PNDIT2) is presented. Direct ...

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Halogen bond effects on the thermo‐ and photochromic behaviour of anil‐based molecular co‐crystals

27-Feb-2017 | Andrea Carletta, Floriana Spinelli, Simone d'Agostino, Barbara Ventura, Michele Remo Chierotti, Roberto Gobetto, Jo ..., Chemistry - A European Journal, 2017

N‐salicilideneanilines are among the most studied thermochromic and photochromic systems in the solid state. Although thermochromism is a general property of crystalline N‐salicilideneanilines, photochromism is known in a limited number of cases. We report here, as a method for the construction ...

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Nucleophilic Aromatic Substitution Reactions Described by the Local Electron Attachment Energy

23-Feb-2017 | Joakim H. Stenlid; Tore Brinck, The Journal of Organic Chemistry, 2017

A local multiorbital electrophilicity descriptor, the local electron attachment energy [E(r)], is used to study the nucleophilic aromatic substitution reactions of SNAr and VNS (vicarious nucleophilic substitution). E(r) considers all virtual orbitals below the free electron limit and is ...

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Interaction and Conformation of Aqueous Poly(N-isopropylacrylamide) (PNIPAM) Star Polymers below the LCST

21-Feb-2017 | Xiaolong Lang; William R. Lenart; Jessie E. P. Sun; Boualem Hammouda; Michael J. A. Hore, Macromolecules, 2017

Small-angle neutron scattering (SANS) is used to measure the conformation and solution thermodynamics of low dispersity, star branched poly(N-isopropylacrylamide) (PNIPAM) in water using a newly developed form factor for star-branched polymers with excluded volume, in conjunction with the random ...

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Visible-Light Photocatalytic Double C–H Functionalization of Indoles: A Synergistic Experimental and Computational Study

21-Feb-2017 | Uranbaatar Erdenebileg; Taye B. Demissie; Jørn H. Hansen, Synlett, 2017

SynlettDOI: 10.1055/s-0036-1588719 Herein is disclosed a novel visible-light photocatalytic double C–H functionalization of indoles. The reaction affords 2,3-difunctionalized indoles in up to 84% yield, but the reaction rate depends strongly on electronic substituent effects. Mechanistic DFT ...

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Desing and synthesis of potent anti-Trypanosoma cruzi agents new thiazoles derivatives which induce apoptotic parasite death

19-Feb-2017 | Author(s): Elany Barbosa da Silva, Dayane Albuquerque Oliveira e Silva, Arsênio Rodrigues Oliveira, Carlos Hen ..., European Journal of Medicinal Chemistry, 2017

Publication date: Available online 16 February 2017 Source:European Journal of Medicinal Chemistry Author(s): Elany Barbosa da Silva, Dayane Albuquerque Oliveira e Silva, Arsênio Rodrigues Oliveira, Carlos Henrique da Silva Mendes, Thiago André Ramos dos Santos, Aline Caroline ...

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Azido chelating fiber: synthesis, characterization and adsorption performances towards Hg2+ and Pb2+ from water

14-Feb-2017 | Like Zhang, Yanan Wang, Jiajia Huang, Siguo Yuan, Polymers for Advanced Technologies, 2017

Herein, we report the synthesis and adsorption property of a novel chelating fiber containing azido group. Firstly, the brominated fiber (PP‐St‐DVB‐Br) was obtained via the reaction of polypropylene‐(g)‐styrene‐divinylbenzene fiber (PP‐St‐DVB) with bromine in CH2Cl2 solution. Then, azido ...

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