Investigation of the hydrogen, halogen and pnicogen dimers by means of molecular face calculated by ab initio method
Sign Up to like & getrecommendations! Published in 2020 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-020-2568-1
Abstract: The noncovalent interactions, including hydrogen, halogen and pnicogen bonds, are widely known due to their significant role in both chemical reactions and biological phenomena. In this work, the potential acting on an electron in a… read more here.
Keywords: halogen pnicogen; molecular face; hydrogen halogen;
The Competition between Hydrogen, Halogen, and Covalent Bonding in Atmospherically Relevant Ammonium Iodate Clusters.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c10841
Abstract: Iodine-containing clusters are expected to be central to new particle formation (NPF) events in polar and midlatitude coastal regions. Iodine oxoacids and iodine oxides are observed in newly formed clusters, and in more polluted midlatitude… read more here.
Keywords: halogen covalent; hydrogen halogen; competition hydrogen; covalent bonding ... See more keywords
The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid–pyridine N-oxide co-crystals
Sign Up to like & getrecommendations! Published in 2021 at "CrystEngComm"
DOI: 10.1039/d0ce01319f
Abstract: Four new multicomponent crystals of trithiocyanuric acid with pyridine N-oxide derivatives have been synthesized. Trithiocyanuric acid affects the solid state molecular architecture of all the co-crystals. Various patterns of its intermolecular interactions responsible for crystal… read more here.
Keywords: trithiocyanuric acid; pyridine oxide; hydrogen halogen; chalcogen bonds ... See more keywords
Synergistic effects of hydrogen and halogen bonding in co-crystals of dipyridylureas and diiodotetrafluorobenzenes
Sign Up to like & getrecommendations! Published in 2018 at "Supramolecular Chemistry"
DOI: 10.1080/10610278.2017.1364380
Abstract: Abstract Herein, we investigate co-crystallization of three linear co-formers that contain urea and pyridyl groups with three regioisomers of diiodotetrafluorobenzene (DITFB) to afford eleven co-crystals. The linear o-, m-, and p- dipyridylureas vary distance and… read more here.
Keywords: effects hydrogen; synergistic effects; hydrogen halogen; halogen bonding ... See more keywords
Enhancing Effects of the Cyano Group on the C-X∙∙∙N Hydrogen or Halogen Bond in Complexes of X-Cyanomethanes with Trimethyl Amine: CH3−n(CN)nX∙∙∙NMe3, (n = 0–3; X = H, Cl, Br, I)
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms231911289
Abstract: In this paper, density functional theory and wave function theory calculations are carried out to investigate the strength and nature of the intermolecular C-X∙∙∙N bond interaction as a function of the number of cyano groups,… read more here.
Keywords: hydrogen halogen; cyanomethanes trimethyl; complexes cyanomethanes; bond ... See more keywords
Roles of Hydrogen, Halogen Bonding and Aromatic Stacking in a Series of Isophthalamides
Sign Up to like & getrecommendations! Published in 2023 at "Symmetry"
DOI: 10.3390/sym15030738
Abstract: The synthesis and spectroscopic characterisation of six bis(5-X-pyridine-2-yl)isophthalamides (X = H, F, Br, Cl, I, NO2) are reported, together with five crystal structure analyses (for X = H, F to I). The isophthalamides span a… read more here.
Keywords: dip dip; hydrogen halogen; halogen bonding; anti anti ... See more keywords