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

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

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

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

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

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

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⋯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

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

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

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

Halogen Bonding of N‐Halosuccinimides with Amines and Effects of Brønsted Acids in Quinuclidine‐Catalyzed Halocyclizations.

Published in:

Helvetica Chimica Acta, 2021, v. 104, n. 9, p. 1, doi. 10.1002/hlca.202100080

By:

Li, Jing;
Kwon, Eunsang;
Lear, Martin J.;
Hayashi, Yujiro

Publication type:

Article

Halogen anion-directed helical host chain and the effect of halogen anions on the inclusion property.

Published in:

Supramolecular Chemistry, 2013, v. 25, n. 3, p. 173, doi. 10.1080/10610278.2012.741686

By:

Guo, Fang;
Yu, Hong-cui;
Li, Lei;
Xia, Fang;
Tong, Jian;
Wang, Bao-xin

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

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

The Impact of ortho‐substituents on Bonding in Silver(I) and Halogen(I) Complexes of 2‐Mono‐ and 2,6‐Disubstituted Pyridines: An In‐Depth Experimental and Theoretical Study.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202303643

By:

Kumar, Parveen;
Rautiainen, J. Mikko;
Novotný, Jan;
Ward, Jas S.;
Marek, Radek;
Rissanen, Kari;
Puttreddy, Rakesh

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

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

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

Type I–IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers.

Published in:

International Journal of Molecular Sciences, 2022, v. 23, n. 6, p. 3114, doi. 10.3390/ijms23063114

By:

Ibrahim, Mahmoud A. A.;
Saeed, Rehab R. A.;
Shehata, Mohammed N. I.;
Ahmed, Muhammad Naeem;
Shawky, Ahmed M.;
Khowdiary, Manal M.;
Elkaeed, Eslam B.;
Soliman, Mahmoud E. S.;
Moussa, Nayra A. M.

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

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

Role of halogen‐involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF3 and halogen (Cl or Br or I) substituted benzamides.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2018, v. 74, n. 6, p. 574, doi. 10.1107/S2052520618013422

By:

Mondal, Pradip Kumar;
Shukla, Rahul;
Biswas, Subha;
Chopra, Deepak

Publication type:

Article

Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnII complexes.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2013, v. 69, n. 1, p. 43, doi. 10.1107/S2052519212050439

By:

Dumitru, Florina;
Legrand, Yves-Marie;
Barboiu, Mihail;
van der Lee, Arie

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

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

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

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

Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State.

Published in:

Journal of Structural Chemistry, 2020, v. 61, n. 5, p. 712, doi. 10.1134/S0022476620050066

By:

Adonin, S. A.;
Novikov, A. S.;
Smirnova, Yu. K.;
Tushakova, Z. R.;
Fedin, V. P.

Publication type:

Article

Variation of Intermediates and Toxicity in High Halogen Dye Wastewater During UV/ SO32- Process for Detoxification.

Published in:

Asian Journals of Ecotoxicology, 2023, v. 18, n. 6, p. 109, doi. 10.7524/AJE.1673-5897.20230513001

By:

Ren Hang;
Xiong Fuzhong;
Li Feifei;
Chen Lyujun

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

A new unconventional halogen bond C&bond;X···H&bond;M between HCCX (X = Cl and Br) and HMH (M = Be and Mg): An ab initio study.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 8, p. 1662, doi. 10.1002/jcc.21451

By:

QING-ZHONG LI;
XU DONG;
BO JING;
WEN-ZUO LI;
JIAN-BO CHENG;
BAO-AN GONG;
ZHI-WU YU

Publication type:

Article

Properties of halogen atoms for representing intermolecular electrostatic interactions related to halogen bonding and their substituent effects.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 1, p. 107, doi. 10.1002/jcc.21302

By:

TORII, HAJIME;
YOSHIDA, MASAKI

Publication type:

Article

Characterization of two types of intermolecular interactions on halogen monoxide monohydrates.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 15, p. 2538, doi. 10.1002/jcc.21260

By:

GÁLVEZ, OSCAR;
GÓMEZ, PEDRO C.;
PACIOS, LUIS F.

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

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