Michele Bedin, Alavi Karim, Marcus Reitti, Anna-Carin C. Carlsson, Filip Topić, Mario Cetina, Fangfang Pan, Vaclav Havel, Fatima Al-Ameri, Vladimir Sindelar, Kari Rissanen, Jürgen Gräfenstein and Máté Erdélyi

Chem. Sci., 2015, 6, 3746
DOI: 10.1039/C5SC01053E

Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds

L. Koskinen, P. Hirva, A. Hasu, S. Jääskeläinen, J. Koivistoinen, M. Pettersson and M. Haukka

CrystEngComm, 2015, 17, 2718
DOI: 10.1039/C4CE02449D

Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation?

Daniel von der Heiden, Flóra Boróka Németh, Måns Andreasson, Daniel Sethio, Imre Pápai and Mate Erdelyi

Org. Biomol. Chem., 2021, 19, 8307
DOI: 10.1039/D1OB01532J

Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study

Ulrike Warzok, Mateusz Marianski, Waldemar Hoffmann, Lotta Turunen, Kari Rissanen, Kevin Pagel and Christoph A. Schalley

Chem. Sci., 2018, 9, 8343
DOI: 10.1039/C8SC03040E

Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems

Olena Makhotkina, Julien Lieffrig, Olivier Jeannin, Marc Fourmigué, Emmanuel Aubert and Enrique Espinosa

Crystal Growth & Design, 2015, 15, 3464
DOI: 10.1021/acs.cgd.5b00535

Linear bis‐Coordinate Silver(I) and Iodine(I) Complexes with R3R2R1N Tertiary Amines

Parveen Kumar, Joonas Komulainen, Antonio Frontera, Jas S. Ward, Christoph Schalley, Kari Rissanen and Rakesh Puttreddy

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202302162

The Influence of the Solvation on the Bonding of Molecular Complexes of Diatomic Halogens With Nitrogen‐Containing Donors and Their Stability With Respect to the Heterolytic Halogen‐Halogen Bond Splitting

Anna V. Pomogaeva, Anna S. Lisovenko and Alexey Y. Timoshkin

J Comput Chem, 2025, 46
DOI: 10.1002/jcc.27549

Weakening and Leveling Effect of Solvent Polarity on Halogen Bond Strength of Diiodoperfluoroalkane with Halide

Hui Wang, Qian Jin Shen and Weizhou Wang

J Solution Chem, 2017, 46, 1092
DOI: 10.1007/s10953-017-0623-x

Atomic Transfer in Halogen-Bonded Complexes Mediated by Polarizing Environments: Mimicking Intra- and Intermolecular Effects in a Series of Cocrystals of N-Bromosaccharin with Pyridines

Emmanuel Aubert, Irène Nicolas, Olivier Jeannin, Marc Fourmigué and Enrique Espinosa

Crystal Growth & Design, 2023, 23, 7798
DOI: 10.1021/acs.cgd.3c00600

Halogen Bonding Interactions in Halopyridine–Iodine Monochloride Complexes

Firas F. Awwadi, Deeb Taher, Mohammed H. Kailani, Manal I. Alwahsh, Fadwa Odeh, Tobias Rüffer, Dieter Schaarschmidt and Heinrich Lang

Crystal Growth & Design, 2020, 20, 543
DOI: 10.1021/acs.cgd.9b00408

A “nucleophilic” iodine in a halogen-bonded iodonium complex manifests an unprecedented I+···Ag+ interaction

Shilin Yu, Parveen Kumar, Jas S. Ward, Antonio Frontera and Kari Rissanen

Chem, 2021, 7, 948
DOI: 10.1016/j.chempr.2021.01.003

Non-Barluenga-type iodine(I) complexes

Kari Rissanen and Jas S. Ward

Coordination Chemistry Reviews, 2026, 549, 217302
DOI: 10.1016/j.ccr.2025.217302

Halogen bond symmetry: the N–X–N bond

Sebastiaan B. Hakkert and Máté Erdélyi

J of Physical Organic Chem, 2015, 28, 226
DOI: 10.1002/poc.3325

Halogen Bonds of Halogen(I) Ions─Where Are We and Where to Go?

Lianne H. E. Wieske and Mate Erdelyi

J. Am. Chem. Soc., 2024, 146, 3
DOI: 10.1021/jacs.3c11449

Applications of halogen bonding in solution

Andreas Vargas Jentzsch

Pure and Applied Chemistry, 2015, 87, 15
DOI: 10.1515/pac-2014-0807

Halogen-Bonded [N–I–N]− Complexes with Symmetric or Asymmetric Three-Center–Four-Electron Bonds

Shilin Yu, Khai-Nghi Truong, Marcel Siepmann, Arto Siiri, Christian Schumacher, Jas S. Ward and Kari Rissanen

Crystal Growth & Design, 2023, 23, 662
DOI: 10.1021/acs.cgd.2c01162

Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts

Daniel Sethio, Gerardo Raggi, Roland Lindh and Máté Erdélyi

J. Chem. Theory Comput., 2020, 16, 7690
DOI: 10.1021/acs.jctc.0c00860

Quantifying the Effects of Halogen Bonding by Haloaromatic Donors on the Acceptor Pyrimidine

Thomas L. Ellington, Peyton L. Reves, Briana L. Simms, Jamey L. Wilson, Davita L. Watkins, Gregory S. Tschumper and Nathan I. Hammer

ChemPhysChem, 2017, 18, 1267
DOI: 10.1002/cphc.201700114

The effects of cation–π and anion–π interactions on halogen bonds in the [N⋯X⋯N]+ complexes: A comprehensive theoretical study

Hafez Razmazma and Ali Ebrahimi

Journal of Molecular Graphics and Modelling, 2018, 84, 134
DOI: 10.1016/j.jmgm.2018.06.006

The Structure of the “Vibration Hole” around an Isotopic Substitution—Implications for the Calculation of Nuclear Magnetic Resonance (NMR) Isotopic Shifts

Jürgen Gräfenstein

Molecules, 2020, 25, 2915
DOI: 10.3390/molecules25122915

The Influence of Secondary Interactions on the [N−I−N]+ Halogen Bond

Sofia Lindblad, Flóra Boróka Németh, Tamás Földes, Daniel von der Heiden, Herh G. Vang, Zakarias L. Driscoll, Emily R. Gonnering, Imre Pápai, Nathan Bowling and Mate Erdelyi

Chemistry A European J, 2021, 27, 13748
DOI: 10.1002/chem.202102575

Iodine(I) and Silver(I) Complexes of Benzoimidazole and Pyridylcarbazole Derivatives

Essi Taipale, Marcel Siepmann, Khai‐Nghi Truong and Kari Rissanen

Chemistry A European J, 2021, 27, 17412
DOI: 10.1002/chem.202103152

Origin of iodine preferential attack at sulfur in phosphorothioate and subsequent P-O or P-S bond dissociation

Qiang Huang, Ga Young Lee, Jiayi Li, Chuan Wang, Rosalinda L. Zhao, Zixin Deng, K. N. Houk and Yi-Lei Zhao

Proc. Natl. Acad. Sci. U.S.A., 2022, 119
DOI: 10.1073/pnas.2119032119

Carbonyl Hypoiodites as Extremely Strong Halogen Bond Donors

Shilin Yu, Jas S. Ward, Khai‐Nghi Truong and Kari Rissanen

Angewandte Chemie, 2021, 133, 20907
DOI: 10.1002/ange.202108126

Three-Center-Four-Electron Halogen Bond Enables Non-Metallic Complex Catalysis For Mukaiyama–Mannich-Type Reaction

Shunya Oishi, Takeshi Fujinami, Yu Masui, Toshiyasu Suzuki, Masayuki Kato, Naoya Ohtsuka and Norie MOMIYAMA

SSRN Journal, 2022
DOI: 10.2139/ssrn.4136716

Charge Transport in Nonstoichiometric 2-Fluoropyridinium Triflate Protic Ionic Liquids

Patric Jannasch, Junaiz Rehmen, Drew Evans and Christoffer Karlsson

J. Phys. Chem. C, 2019, 123, 23427
DOI: 10.1021/acs.jpcc.9b07923

Halogen bonding in solution: NMR spectroscopic approaches

Daniel von der Heiden, Alan Vanderkooy and Máté Erdélyi

Coordination Chemistry Reviews, 2020, 407, 213147
DOI: 10.1016/j.ccr.2019.213147

Substituent Effects on the [N–I–N]+ Halogen Bond

Anna-Carin C. Carlsson, Krenare Mehmeti, Martin Uhrbom, Alavi Karim, Michele Bedin, Rakesh Puttreddy, Roland Kleinmaier, Alexei A. Neverov, Bijan Nekoueishahraki, Jürgen Gräfenstein, Kari Rissanen and Máté Erdélyi

J. Am. Chem. Soc., 2016, 138, 9853
DOI: 10.1021/jacs.6b03842

Shape-Matching and Halogen Bonding in Chiral Pyrazine-Allene Hosts: Confining an Unstable Guest Conformation

Víctor Rubio-Pisabarro, Jonathan Álvarez-García and María Magdalena Cid

Org. Lett., 2025, 27, 7164
DOI: 10.1021/acs.orglett.5c02075

Tetrameric and Dimeric [N⋅⋅⋅I+⋅⋅⋅N] Halogen‐Bonded Supramolecular Cages

Lotta Turunen, Anssi Peuronen, Samu Forsblom, Elina Kalenius, Manu Lahtinen and Kari Rissanen

Chemistry A European J, 2017, 23, 11714
DOI: 10.1002/chem.201702655

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

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

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202303643

N···I Halogen Bonding Interactions: Influence of Lewis Bases on Their Strength and Characters

Na Han, Yanli Zeng, Cuihong Sun, Xiaoyan Li, Zheng Sun and Lingpeng Meng

J. Phys. Chem. A, 2014, 118, 7058
DOI: 10.1021/jp502558p

Some measures for making a traditional halogen bond be chlorine-shared or ion-pair one in FCl•NH3 complex

Huili Xu, Jianbo Cheng, Qingzhong Li and Wenzuo Li

Molecular Physics, 2016, 114, 3643
DOI: 10.1080/00268976.2016.1255798

The Halogen Bond

Gabriella Cavallo, Pierangelo Metrangolo, Roberto Milani, Tullio Pilati, Arri Priimagi, Giuseppe Resnati and Giancarlo Terraneo

Chem. Rev., 2016, 116, 2478
DOI: 10.1021/acs.chemrev.5b00484

Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne

Ann Christin Reiersølmoen, Dániel Csókás, Imre Pápai, Anne Fiksdahl and Máté Erdélyi

J. Am. Chem. Soc., 2019, 141, 18221
DOI: 10.1021/jacs.9b09108

Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theory

Jürgen Gräfenstein

The Journal of Chemical Physics, 2019, 151
DOI: 10.1063/1.5134538

Structure and Bonding of Halonium Compounds

Juan D. Velasquez, Jorge Echeverría and Santiago Alvarez

Inorg. Chem., 2023, 62, 8980
DOI: 10.1021/acs.inorgchem.3c00654

Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides

Kyrill Yu. Suponitsky, N.I. Burakov, Alexander L. Kanibolotsky and Vasilii A. Mikhailov

J. Phys. Chem. A, 2016, 120, 4179
DOI: 10.1021/acs.jpca.6b02192

Iodine(I) and Silver(I) Complexes Incorporating 3-Substituted Pyridines

Kari Rissanen and Jas S. Ward

ACS Omega, 2023, 8, 24064
DOI: 10.1021/acsomega.3c03097

Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems

Laura Koskinen, Sirpa Jääskeläinen, Pipsa Hirva and Matti Haukka

Crystal Growth & Design, 2015, 15, 1160
DOI: 10.1021/cg501482u

Halogen Bond Asymmetry in Solution

Sofia Lindblad, Krenare Mehmeti, Alberte X. Veiga, Bijan Nekoueishahraki, Jürgen Gräfenstein and Máté Erdélyi

J. Am. Chem. Soc., 2018, 140, 13503
DOI: 10.1021/jacs.8b09467

Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase

Stefan H. Jungbauer, Severin Schindler, Eberhardt Herdtweck, Sandro Keller and Stefan M. Huber

Chemistry A European J, 2015, 21, 13625
DOI: 10.1002/chem.201502043

Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination

Lotta Turunen, Flóra Boróka Németh, Daniel A Decato, Imre Pápai, Orion B Berryman and Máté Erdélyi

Bulletin of the Chemical Society of Japan, 2021, 94, 191
DOI: 10.1246/bcsj.20200274

Quantifying electro/nucleophilicity by partitioning the dual descriptor

Vincent Tognetti, Christophe Morell and Laurent Joubert

J Comput Chem, 2015, 36, 649
DOI: 10.1002/jcc.23840

Cyclic dimers of formamidine with its N-halogenated formamidine analogues: Structure, energetics, and proton-halonium transfer

Ruben D. Parra, Samuel Knewstub, Patrick Kusion and Gonzalo Moreno

Computational and Theoretical Chemistry, 2019, 1153, 1
DOI: 10.1016/j.comptc.2019.02.013

Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization

Stefan H. Jungbauer and Stefan M. Huber

J. Am. Chem. Soc., 2015, 137, 12110
DOI: 10.1021/jacs.5b07863

Carbonyl Hypoiodites as Extremely Strong Halogen Bond Donors

Shilin Yu, Jas S. Ward, Khai‐Nghi Truong and Kari Rissanen

Angew Chem Int Ed, 2021, 60, 20739
DOI: 10.1002/anie.202108126

Direct Investigation of Halogen Bonds by Solid-State Multinuclear Magnetic Resonance Spectroscopy and Molecular Orbital Analysis

Jasmine Viger-Gravel, Sophie Leclerc, Ilia Korobkov and David L. Bryce

J. Am. Chem. Soc., 2014, 136, 6929
DOI: 10.1021/ja5013239

Nano-sized I12L6 Molecular Capsules Based on the [N⋅⋅⋅I+⋅⋅⋅N] Halogen Bond

Lotta Turunen, Ulrike Warzok, Christoph A. Schalley and Kari Rissanen

Chem, 2017, 3, 861
DOI: 10.1016/j.chempr.2017.08.010