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

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.

2010 ◽  
Vol 49 (9) ◽  
pp. 1674-1677 ◽  
Author(s):  
Mohammed G. Sarwar ◽  
Bojan Dragisic ◽  
Sandeep Sagoo ◽  
Mark S. Taylor

2008 ◽  
Vol 8 (7) ◽  
pp. 2241-2247 ◽  
Author(s):  
Sonia Triguero ◽  
Rosa Llusar ◽  
Victor Polo ◽  
Marc Fourmigué

2010 ◽  
Vol 122 (9) ◽  
pp. 1718-1721 ◽  
Author(s):  
Mohammed G. Sarwar ◽  
Bojan Dragisic ◽  
Sandeep Sagoo ◽  
Mark S. Taylor

ChemPlusChem ◽  
2020 ◽  
Vol 85 (3) ◽  
pp. 441-449 ◽  
Author(s):  
Almaz Jalilov ◽  
Spencer Deats ◽  
Muath Albukhari ◽  
Matthias Zeller ◽  
Sergiy V. Rosokha

2015 ◽  
Vol 17 (7) ◽  
pp. 4989-4999 ◽  
Author(s):  
Sergiy V. Rosokha ◽  
Alfredo Traversa

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


2021 ◽  
Author(s):  
Cody Loy ◽  
Jana M Holthoff ◽  
Robert Weiss ◽  
Stefan Huber ◽  
Sergiy Rosokha

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...


1984 ◽  
Vol 45 (1) ◽  
pp. 151-155 ◽  
Author(s):  
M. Daoud ◽  
F. Family
Keyword(s):  

2017 ◽  
Author(s):  
Manoj Kumar Kesharwani ◽  
Nitai Sylvetsky ◽  
Debashree Manna ◽  
Jan M.L. Martin

<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>


Sign in / Sign up

Export Citation Format

Share Document