Works matching Halogens

Results: 5000

Computational insights into halogen bonding between P&bond;Cl contact and several electron donors.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 6, p. 1245, doi. 10.1002/qua.22228

By:

Xu, Lin;
Zou, Jian‐Wei;
Yu, Qing‐Sen;
Sang, Peng

Publication type:

Article

Theoretical study of halogen-hydride halogen bonds in F3CL ··· HM (L=Cl, Br; M=Li, BeH, MgH) complexes.

Published in:

Molecular Physics, 2010, v. 108, n. 5, p. 611, doi. 10.1080/00268971003630703

By:

Qingzhong Li;
Huifu Yuan;
Bo Jing;
Zhenbo Liu;
Wenzuo Li;
Jianbo Cheng;
Baoan Gong;
Jiazhong Sun

Publication type:

Article

高压下卤素化合物的反常物性.

Published in:

Chinese Journal of High Pressure Physics, 2022, v. 36, n. 6, p. 1, doi. 10.11858/gywlxb.20220672

By:

刘妍;
李达;
崔田

Publication type:

Article

Halogen⋯Halogen Interactions: Nature, Directionality and Applications.

Published in:

Chemistry - An Asian Journal, 2023, v. 18, n. 8, p. 1, doi. 10.1002/asia.202300067

By:

Saha, Binoy K.;
Veluthaparambath, Ragima V. P.;
Krishna G., Vibha

Publication type:

Article

Theoretical study of the complementarity in halogen-bonded complexes involving nitrogen and halogen as negative sites.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 2, p. 1, doi. 10.1007/s00894-014-2101-3

By:

Esrafili, Mehdi;
Vakili, Mahshad;
Solimannejad, Mohammad

Publication type:

Article

Can the positive aromatic ring be as π-electron donor in π-halogen bond? A MP2 theoretical investigation on the unusual π-halogen bond interaction between three-membered ring $$ \left( {\hbox{BNN}} \right)_3^{+} $$ and X1X2 (X1, X2 = F, Cl, Br)

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 5, p. 929, doi. 10.1007/s00894-010-0790-9

By:

Hai-tao Qi;
Fu-de Ren;
Jing-lin Zhang;
Jing-yu Wang

Publication type:

Article

On the Importance of Halogen-Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study.

Published in:

Crystals (2073-4352), 2017, v. 7, n. 7, p. 191, doi. 10.3390/cryst7070191

By:

Bauzá, Antonio;
Frontera, Antonio

Publication type:

Article

Halogens in amphibole and mica from mantle xenoliths: Implications for the halogen distribution and halogen budget of the metasomatized continental lithosphere.

Published in:

American Mineralogist, 2020, v. 105, n. 6, p. 781, doi. 10.2138/am-2020-7174

By:

HECKER, JOHANNES G.;
MARKS, MICHAEL A.W.;
WENZEL, THOMAS;
MARKL, GREGOR

Publication type:

Article

Heavy halogen geochemistry of martian shergottite meteorites and implications for the halogen composition of the depleted shergottite mantle source.

Published in:

American Mineralogist, 2020, v. 105, n. 3, p. 289, doi. 10.2138/am-2020-7237

By:

CLAY, PATRICIA L.;
JOY, KATHERINE H.;
O'DRISCOLL, BRIAN;
BUSEMANN, HENNER;
RUZIÉ-HAMILTON, LORRAINE;
BURGESS, RAY;
FELLOWES, JONATHAN;
JOACHIM-MROSKO, BASTIAN;
PERNET-FISHER, JOHN;
STREKOPYTOV, STANISLAV;
BALLENTINE, CHRISTOPHER J.

Publication type:

Article

A Theoretical Study of the Halogen Bond between Heteronuclear Halogen and Benzene.

Published in:

Molecules, 2022, v. 27, n. 22, p. 8078, doi. 10.3390/molecules27228078

By:

Luo, Jun;
Dai, Hongjing;
Zeng, Chenglu;
Wu, Dawang;
Cao, Maoqi

Publication type:

Article

Mechanism development and modelling of tropospheric multiphase halogen chemistry: The CAPRAM Halogen Module 2.0 (HM2).

Published in:

Journal of Atmospheric Chemistry, 2013, v. 70, n. 1, p. 19, doi. 10.1007/s10874-013-9249-6

By:

Bräuer, Peter;
Tilgner, Andreas;
Wolke, Ralf;
Herrmann, Hartmut

Publication type:

Article

Halogen Bond via an Electrophilic π-Hole on Halogen in Molecules: Does It Exist?

Published in:

International Journal of Molecular Sciences, 2024, v. 25, n. 9, p. 4587, doi. 10.3390/ijms25094587

By:

Varadwaj, Pradeep R.

Publication type:

Article

Substituent effects on noncovalent halogen/π interactions: Theoretical study.

Published in:

International Journal of Quantum Chemistry, 2007, v. 107, n. 6, p. 1479, doi. 10.1002/qua.21279

By:

Lu, Yun‐Xiang;
Zou, Jian‐Wei;
Wang, Yan‐Hua;
Yu, Qing‐Sen

Publication type:

Article

The First Use of a ReX5 Synthon to Modulate FeIII Spin Crossover via Supramolecular Halogen⋅⋅⋅Halogen Interactions.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 51, p. 11835, doi. 10.1002/chem.202001668

By:

Busch, Rebecca;
Carter, Anthony B.;
Konidaris, Konstantis F.;
Kühne, Irina A.;
González, Ricardo;
Anson, Christopher E.;
Powell, Annie K.

Publication type:

Article

Towards a Stronger Halogen Bond Involving Astatine: Unexpected Adduct with Bu3PO Stabilized by Hydrogen Bonding.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 17, p. 3713, doi. 10.1002/chem.201905389

By:

Liu, Lu;
Guo, Ning;
Champion, Julie;
Graton, Jérôme;
Montavon, Gilles;
Galland, Nicolas;
Maurice, Rémi

Publication type:

Article

Halogen Bonding in Two‐Dimensional Crystal Engineering.

Published in:

ChemistryOpen, 2020, v. 9, n. 2, p. 225, doi. 10.1002/open.201900337

By:

Teyssandier, Joan;
Mali, Kunal S.;
De Feyter, Steven

Publication type:

Article

Role of Lewis-Base-Coordinated Halogen(I) Intermediates in Organic Synthesis: The Journey from Unstable Intermediates to Versatile Reagents.

Published in:

European Journal of Organic Chemistry, 2017, v. 2017, n. 37, p. 5497, doi. 10.1002/ejoc.201700916

By:

Guha, Somraj;
Kazi, Imran;
Nandy, Anuradha;
Sekar, Govindasamy

Publication type:

Article

Refined SMD Parameters for Bromine and Iodine Accurately Model Halogen‐Bonding Interactions in Solution.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 60, p. 15983, doi. 10.1002/chem.201803652

By:

Engelage, Elric;
Schulz, Nils;
Heinen, Flemming;
Huber, Stefan M.;
Truhlar, Donald G.;
Cramer, Christopher J.

Publication type:

Article

Metal‐Free Halogen(I) Catalysts for the Oxidation of Aryl(heteroaryl)methanes to Ketones or Esters: Selectivity Control by Halogen Bonding.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 53, p. 14171, doi. 10.1002/chem.201801717

By:

Guha, Somraj;
Sekar, Govindasamy

Publication type:

Article

Cover Feature: Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms (Chem. Eur. J. 61/2017).

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 61, p. 15234, doi. 10.1002/chem.201703759

By:

Carter, Korey P.;
Kalaj, Mark;
Surbella, Robert G.;
Ducati, Lucas C.;
Autschbach, Jochen;
Cahill, Christopher L.

Publication type:

Article

Synthesis and Characterisation of Chiral Triazole-Based Halogen-Bond Donors: Halogen Bonds in the Solid State and in Solution.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 30, p. 7337, doi. 10.1002/chem.201700618

By:

Kaasik, Mikk;
Kaabel, Sandra;
Kriis, Kadri;
Järving, Ivar;
Aav, Riina;
Rissanen, Kari;
Kanger, Tõnis

Publication type:

Article

[NMe4][I4Br5]: A new Iodobromide from an Ionic Liquid with Halogen-Halogen Interactions.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 2, p. 244, doi. 10.1002/chem.201604392

By:

Mann, Lisa;
Voßnacker, Patrick;
Müller, Carsten;
Riedel, Sebastian

Publication type:

Article

Halogen Bearing Amphiboles, Aqueous Fluids, and Melts in Subduction Zones: Insights on Halogen Cycle From Electrical Conductivity.

Published in:

Journal of Geophysical Research. Solid Earth, 2021, v. 126, n. 3, p. 1, doi. 10.1029/2020JB021339

By:

Manthilake, G.;
Koga, K. T.;
Peng, Y.;
Mookherjee, M.

Publication type:

Article

Halogen Heterogeneity in the Lithosphere and Evolution of Mantle Halogen Abundances Inferred From Intraplate Mantle Xenoliths.

Published in:

Geochemistry, Geophysics, Geosystems: G3, 2019, v. 20, n. 2, p. 952, doi. 10.1029/2018GC007903

By:

Kobayashi, Masahiro;
Sumino, Hirochika;
Burgess, Ray;
Nakai, Shun'ichi;
Iizuka, Tsuyoshi;
Nagao, Jun;
Kagi, Hiroyuki;
Nakamura, Michihiko;
Takahashi, Eiichi;
Kogiso, Tetsu;
Ballentine, Chris J.

Publication type:

Article

Substituent Effect and Its Halogen‐Atom Dependence of Halogen Bonding Viewed through Electron Density Changes.

Published in:

Chemistry - An Asian Journal, 2023, v. 18, n. 3, p. 1, doi. 10.1002/asia.202201196

By:

Sakai, Takanori;
Torii, Hajime

Publication type:

Article

Activation of Glycosyl Halides by Halogen Bonding.

Published in:

Chemistry - An Asian Journal, 2014, v. 9, n. 8, p. 2095, doi. 10.1002/asia.201402259

By:

Castelli, Riccardo;
Schindler, Severin;
Walter, Sebastian M.;
Kniep, Florian;
Overkleeft, Herman S.;
Van der Marel, Gijsbert A.;
Huber, Stefan M.;
Codée, Jeroen D. C.

Publication type:

Article

Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 3, p. 0, doi. 10.1007/s00894-018-3604-0

By:

Razavi, Razieh;
Abrishamifar, Seyyed Milad;
Rajaei, Gholamreza Ebrahimzadeh;
Kahkha, Mohammad Reza Rezaei;
Najafi, Meysam

Publication type:

Article

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 4651, doi. 10.1007/s00894-012-1428-x

By:

Riley, Kevin;
Murray, Jane;
Fanfrlík, Jindřich;
Řezáč, Jan;
Solá, Ricardo;
Concha, Monica;
Ramos, Felix;
Politzer, Peter

Publication type:

Article

The intermolecular interaction in the charge-transfer complexes between amines and halogens: A theoretical characterization of the trends in halogen bonding.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 1, p. 1, doi. 10.1007/s00214-003-0448-0

By:

Karpfen, Alfred

Publication type:

Article

Characterization of orthogonal hydrogen and halogen bonds in thiobarbituric acid complexes with halogen molecules (X = I2, Br2, and Cl2): Structural and spectroscopic study.

Published in:

Journal of the Chinese Chemical Society, 2021, v. 68, n. 9, p. 1630, doi. 10.1002/jccs.202100101

By:

Alosaimi, Abeer M.;
Aljehani, Abdulrahman S.;
Ibrahim, Mohamed M.;
El‐Sheshtawy, Hamdy S.;
Altalhi, Tariq

Publication type:

Article

Comparison of Anion‐Anion Halogen Bonds with Neutral‐Anion Halogen Bonds in the Gas Phase and Polar Solvents.

Published in:

ChemPlusChem, 2021, v. 86, n. 2, p. 232, doi. 10.1002/cplu.202000734

By:

Li, Ying;
Meng, Lingpeng;
Zeng, Yanli

Publication type:

Article

Catalytic Approaches to the Halogen Dance Reaction for Molecular Editing.

Published in:

ChemCatChem, 2024, v. 16, n. 14, p. 1, doi. 10.1002/cctc.202400408

By:

Inoue, Kengo;
Okano, Kentaro

Publication type:

Article

Modeling the Sources and Chemistry of Polar Tropospheric Halogens (Cl, Br, and I) Using the CAM‐Chem Global Chemistry‐Climate Model.

Published in:

Journal of Advances in Modeling Earth Systems, 2019, v. 11, n. 7, p. 2259, doi. 10.1029/2019MS001655

By:

Fernandez, Rafael P.;
Carmona‐Balea, Antía;
Cuevas, Carlos A.;
Barrera, Javier A.;
Kinnison, Douglas E.;
Lamarque, Jean‐Francois;
Blaszczak‐Boxe, Christopher;
Kim, Kitae;
Choi, Wonyong;
Hay, Timothy;
Blechschmidt, Anne‐Marlene;
Schönhardt, Anja;
Burrows, John P.;
Saiz‐Lopez, Alfonso

Publication type:

Article

Modeling the Sources and Chemistry of Polar Tropospheric Halogens (Cl, Br, and I) Using the CAM‐Chem Global Chemistry‐Climate Model.

Published in:

Journal of Advances in Modeling Earth Systems, 2019, v. 11, p. 2259, doi. 10.1029/2019MS001655

By:

Fernandez, Rafael P.;
Carmona‐Balea, Antía;
Cuevas, Carlos A.;
Barrera, Javier A.;
Kinnison, Douglas E.;
Lamarque, Jean‐Francois;
Blaszczak‐Boxe, Christopher;
Kim, Kitae;
Choi, Wonyong;
Hay, Timothy;
Blechschmidt, Anne‐Marlene;
Schönhardt, Anja;
Burrows, John P.;
Saiz‐Lopez, Alfonso

Publication type:

Article

Type II Halogen-Halogen Contacts in the Single-Crystal X-ray Diffraction Structure of a 1:1 Halogen-Bonded Cocrystal of 2,3,5,6-Tetramethylpyrazine and 1,3,4,5-Tetrabromo-2,6-difluorobenzene.

Published in:

Journal of Chemical Crystallography, 2024, v. 54, n. 2, p. 150, doi. 10.1007/s10870-024-01007-4

By:

Gunaga, Shubha S.;
Bryce, David L.

Publication type:

Article

Simple Synthesis of Multi-Halogen Pyrazino[1,2- a]indole-1,8(2 H,5 aH)-diones.

Published in:

Bulletin of the Korean Chemical Society, 2016, v. 37, n. 10, p. 1593, doi. 10.1002/bkcs.10909

By:

Yang, Rui-Xia;
Zhao, Yu-Cheng;
Kong, Ling-Bin;
Yan, Sheng-Jiao;
Lin, Jun

Publication type:

Article

Ortho‐Carborane‐Derived Halogen Bonding Organocatalysts.

Published in:

Angewandte Chemie, 2025, v. 137, n. 17, p. 1, doi. 10.1002/ange.202424072

By:

Vonnemann, Christoph J.;
Engelage, Elric;
Ward, Jas S.;
Rissanen, Kari;
Keller, Sandro;
Huber, Stefan M.

Publication type:

Article

Indirect Electrosynthesis with Halogen Ions as Mediators.

Published in:

Chemical Record, 2021, v. 21, n. 9, p. 2290, doi. 10.1002/tcr.202100036

By:

Lian, Fei;
Xu, Kun;
Zeng, Chengchu

Publication type:

Article

Alkali Metal-Ion Binding by a Model Macrocycle Containing a C-I···N Halogen Bonded Network: A DFT Study of C-I···M + and N···M + Binding Interactions, M + = Li + , Na + , K + , and Rb +.

Published in:

Inorganics, 2024, v. 12, n. 6, p. 161, doi. 10.3390/inorganics12060161

By:

Parra, Rubén D.

Publication type:

Article

Heteroleptic Zn(II)–Pentaiodobenzoate Complexes: Structures and Features of Halogen–Halogen Non-Covalent Interactions in Solid State.

Published in:

Inorganics, 2022, v. 10, n. 10, p. 151, doi. 10.3390/inorganics10100151

By:

Bondarenko, Mikhail A.;
Novikov, Alexander S.;
Sokolov, Maxim N.;
Adonin, Sergey A.

Publication type:

Article

Halogen Bonding: A Halogen-Centered Noncovalent Interaction Yet to Be Understood.

Published in:

Inorganics, 2019, v. 7, n. 3, p. 40, doi. 10.3390/inorganics7030040

By:

Varadwaj, Pradeep R.;
Varadwaj, Arpita;
Marques, Helder M.

Publication type:

Article

On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms.

Published in:

Crystals (2073-4352), 2021, v. 11, n. 11, p. 1406, doi. 10.3390/cryst11111406

By:

Mertsalov, Dmitriy F.;
Gomila, Rosa M.;
Zaytsev, Vladimir P.;
Grigoriev, Mikhail S.;
Nikitina, Eugeniya V.;
Zubkov, Fedor I.;
Frontera, Antonio

Publication type:

Article

Role of Halogen Substituents on Halogen Bonding in 4,5-DiBromohexahydro-3a,6-Epoxyisoindol-1(4 H)-ones.

Published in:

Crystals (2073-4352), 2021, v. 11, n. 2, p. 112, doi. 10.3390/cryst11020112

By:

Gurbanov, Atash V.;
Mertsalov, Dmitriy F.;
Zubkov, Fedor I.;
Nadirova, Maryana A.;
Nikitina, Eugeniya V.;
Truong, Hieu H.;
Grigoriev, Mikhail S.;
Zaytsev, Vladimir P.;
Mahmudov, Kamran T.;
Pombeiro, Armando J. L.;
Mosquera, Marta E. G.

Publication type:

Article

The Influence of Liquid on the Outcome of Halogen-Bonded Metal--Organic Materials Synthesis by Liquid Assisted Grinding.

Published in:

Crystals (2073-4352), 2017, v. 7, n. 12, p. 363, doi. 10.3390/cryst7120363

By:

Lisac, Katarina;
Cinčić, Dominik

Publication type:

Article

Halogen-Bonded Co-Crystals of Aromatic N-oxides: Polydentate Acceptors for Halogen and Hydrogen Bonds.

Published in:

Crystals (2073-4352), 2017, v. 7, n. 7, p. 214, doi. 10.3390/cryst7070214

By:

Puttreddy, Rakesh;
Topić, Filip;
Valkonen, Arto;
Rissanen, Kari

Publication type:

Article

Halogen fractionation during vapor-brine phase separation revealed by in situ Cl, Br, and I analysis of scapolite from the Yixingzhai gold deposit, North China Craton.

Published in:

American Mineralogist, 2024, v. 109, n. 3, p. 408, doi. 10.2138/am-2022-8826

By:

Gao, Wen-Sheng;
Deng, Xiao-Dong;
Chen, Lei;
Zhang, Li-Zhong;
Li, Yu-Xiang;
Luo, Tao;
Li, Jian-Wei

Publication type:

Article

Heavy halogen compositions of lamprophyres derived from metasomatized lithospheric mantle beneath eastern North China Craton.

Published in:

American Mineralogist, 2023, v. 108, n. 10, p. 1825, doi. 10.2138/am-2022-8693

By:

Zheng, Yixin;
Wang, Zaicong;
He, Tao;
Burgess, Ray;
Zhu, Zhaoxian;
Wang, Lian-Xun;
Wang, Xiang;
Hu, Zhaochu;
Liu, Yongsheng

Publication type:

Article

The effect of halogens (F, Cl) on the near-liquidus crystallinity of a hydrous trachyte melt.

Published in:

American Mineralogist, 2022, v. 107, n. 6, p. 1007, doi. 10.2138/am-2022-8120

By:

Feisel, Yves;
Castro, Jonathan M.;
Helo, Christoph;
Dingwell, Donald B.

Publication type:

Article

Archean to Paleoproterozoic seawater halogen ratios recorded by fluid inclusions in chert and hydrothermal quartz.

Published in:

American Mineralogist, 2020, v. 105, n. 9, p. 1317, doi. 10.2138/am-2020-7238

By:

Burgess, Ray;
Goldsmith, Sarah L.;
Sumino, Hirochika;
Gilmour, Jamie D.;
Marty, Bernard;
Pujol, Magali;
Konhauser, Kurt O.

Publication type:

Article

New insights on Br speciation in volcanic glasses and structural controls on halogen degassing.

Published in:

American Mineralogist, 2020, v. 105, n. 6, p. 795, doi. 10.2138/am-2020-7273

By:

LOUVEL, MARION;
CADOUX, ANITA;
BROOKER, RICHARD A.;
PROUX, OLIVIER;
HAZEMANN, JEAN-LOUIS

Publication type:

Article