The C–I⋯X− halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation

2013 ◽  
Vol 15 (12) ◽  
pp. 4320 ◽  
Author(s):  
Hui Wang ◽  
Xiao Ran Zhao ◽  
Wei Jun Jin
Keyword(s):  
Halogen Bonding ◽  
Halide Anions

A Tridentate Halogen-Bonding Receptor for Tight Binding of Halide Anions

2010 ◽  
Vol 49 (9) ◽  
pp. 1674-1677 ◽  
Author(s):  
Mohammed G. Sarwar ◽  
Bojan Dragisic ◽  
Sandeep Sagoo ◽  
Mark S. Taylor
Keyword(s):  
Tight Binding ◽  
Halogen Bonding ◽  
Halide Anions

Halogen Bonding Interactions ofsym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study

2008 ◽  
Vol 8 (7) ◽  
pp. 2241-2247 ◽  
Author(s):  
Sonia Triguero ◽  
Rosa Llusar ◽  
Victor Polo ◽  
Marc Fourmigué
Keyword(s):  
Theoretical Study ◽  
Halogen Bonding ◽  
Halide Anions

A Tridentate Halogen-Bonding Receptor for Tight Binding of Halide Anions

2010 ◽  
Vol 122 (9) ◽  
pp. 1718-1721 ◽  
Author(s):  
Mohammed G. Sarwar ◽  
Bojan Dragisic ◽  
Sandeep Sagoo ◽  
Mark S. Taylor
Keyword(s):  
Tight Binding ◽  
Halogen Bonding ◽  
Halide Anions

scholarly journals Intermolecular Interactions between Halogen‐Substituted p ‐Benzoquinones and Halide Anions: Anion‐π Complexes versus Halogen Bonding

ChemPlusChem ◽  
2020 ◽  
Vol 85 (3) ◽  
pp. 441-449 ◽  
Author(s):  
Almaz Jalilov ◽  
Spencer Deats ◽  
Muath Albukhari ◽  
Matthias Zeller ◽  
Sergiy V. Rosokha
Keyword(s):  
Intermolecular Interactions ◽  
Halogen Bonding ◽  
Halide Anions

From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions

2015 ◽  
Vol 17 (7) ◽  
pp. 4989-4999 ◽  
Author(s):  
Sergiy V. Rosokha ◽  
Alfredo Traversa
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Halogen Bonding ◽  
Dramatic Decrease ◽  
Halide Anions ◽  
Inner Sphere ◽  
Bonded Complexes

Halogen bonding leads to a dramatic decrease of the barrier for (inner-sphere) electron transfer and halogen transfer between bromocarbons and iodide anions.

scholarly journals “Anti-electrostatic” halogen bonding in solution

2021 ◽  
Author(s):  
Cody Loy ◽  
Jana M Holthoff ◽  
Robert Weiss ◽  
Stefan Huber ◽  
Sergiy Rosokha
Keyword(s):  
Halogen Bonding ◽  
Spontaneous Formation ◽  
Halide Anions ◽  
First Time

Halogen-bonded (XB) complexes between halide anions and a cyclopropenylium-based anionic XB donor were characterized in solution for the first time. Spontaneous formation of such complexes confirms that halogen bonding is...

scholarly journals Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions

2020 ◽  
Vol 16 ◽  
pp. 78-87
Author(s):  
Xingyu Xu ◽  
Shiqing Huang ◽  
Zengyu Zhang ◽  
Lei Cao ◽  
Xiaoyu Yan
Keyword(s):  
Halogen Bonding ◽  
Linear Polymer ◽  
Boat Conformation ◽  
Halide Anions ◽  
Triazolium Salts

The synthesis of 4,5-diiodo-1,3-dimesityl-1,2,3-triazolium salts with different anions have been developed. These triazolium salts show diverse aggregation via halogen bonding between C–I bonds and anions. Triazolium with halide anions exists as a tetramer with saddle conformation. Triazolium tetrafluoroborate exists as a trimer with Chinese lantern shape conformation. Triazolium trifluoroacetate and acetate exist as dimers, respectively, while the former shows boat conformation and the latter forms rectangle conformation. Triazolium salts form a linear polymer with polyiodide.

The X40x10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence Correlation

2017 ◽  
Author(s):  
Manoj Kumar Kesharwani ◽  
Nitai Sylvetsky ◽  
Debashree Manna ◽  
Jan M.L. Martin
Keyword(s):  
Dissociation Energy ◽  
Noncovalent Interactions ◽  
Halogen Bonding ◽  
Coupled Cluster ◽  
Dissociation Energies ◽  
Iodine Species ◽  
Explicitly Correlated ◽  
High Level ◽  
Cluster Methods ◽  
Small Separation

<p>We have re-evaluated the X40x10 benchmark for halogen bonding using conventional and explicitly correlated coupled cluster methods. For the aromatic dimers at small separation, improved CCSD(T)–MP2 “high-level corrections” (HLCs) cause substantial reductions in the dissociation energy. For the bromine and iodine species, (n-1)d subvalence correlation increases dissociation energies, and turns out to be more important for noncovalent interactions than is generally realized. As in previous studies, we find that the most efficient way to obtain HLCs is to combine (T) from conventional CCSD(T) calculations with explicitly correlated CCSD-F12–MP2-F12 differences.</p>

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