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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 ...


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 ...


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 ...


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 ...


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 ...


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 ...


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 ...


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 ...


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 ...


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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