Results 21 to 30 of about 744,099 (279)
Molecules, 2021 The formation of a pair of extended networks sustained by halogen bonds based upon two regioisomers of a photoproduct, namely rctt-1,3-bis(4-pyridyl)-2,4-bis(phenyl)cyclobutane (ht-PP) and rctt-1,2-bis(4-pyridyl)-3,4-bis(phenyl)cyclobutane (hh-PP), that ...
Taylor J. Dunning +3 more
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Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding
Molecules, 2021 The nature of halogen-bond interactions was scrutinized from the perspective of astatine, potentially the strongest halogen-bond donor atom. In addition to its remarkable electronic properties (e.g., its higher aromaticity compared to benzene), C6At6 can
Serigne Sarr +4 more
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Self-complementary Dimers Based on Zwitterionic Halogen Bond Donors [PDF]
, 2022 Even though halogen bonding is routinely used in crystal engineering and beyond, multipoint interactions are still quite rare. This applies in particular to self-complementary systems which incorporate both halogen bond donating and accepting moieties ...
Raffaella, Papagna +4 more
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Intrinsic Bond Strength Index as a halogen bond interaction energy predictor [PDF]
, 2023 Halogen bonds (XBs) have become increasingly popular over the past few years with numerous applications in catalysis, material design, anion recognition, and medicinal chemistry.
Ona, Šivickytė, Paulo J., Costa
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Mechanical Bond Enhanced Lithium Halide Ion-Pair Binding by Halogen Bonding Heteroditopic Rotaxanes [PDF]
, 2022 A family of novel halogen bonding (XB) and hydrogen bonding (HB) heteroditopic [2]rotaxane host systems constructed by active metal template (AMT) methodology, were studied for their ability to cooperatively recognise lithium halide (LiX) ion-pairs.
Dilhan, Manawadu +4 more
core +2 more sources
Type II halogen···halogen contacts are halogen bonds [PDF]
IUCrJ, 2013 Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen···halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.
METRANGOLO, PIERANGELO +1 more
openaire +4 more sources
Molecules, 2020 Periodic local vibrational modes were calculated with the rev-vdW-DF2 density functional to quantify the intrinsic strength of the X-I⋯OA-type halogen bonding (X = I or Cl; OA: carbonyl, ether and N-oxide groups) in 32 model systems originating from 20 ...
Yunwen Tao +5 more
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1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)
IUCrData, 2021 The single-crystal structure of the title compound, C4H10N2·2C6F3I3, features a moderately strong halogen bond between one of the three crystallographically distinct iodine atoms and the nitrogen atom.
Christelle Hajjar +2 more
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Cooperativity of halogen bonds – enhancing halogen-bond donating ability of halogenated pyridines through halogen bonding with N-haloimides [PDF]
Acta Crystallographica Section A Foundations and Advances, 2018 N-halogenated imides, common halogenating agents in organic synthesis, have recently been marked as extremely strong halogen donors. In previous studies we have demonstrated that N-halogenated succinimides form extremely short XBs with halogen bond energies between 20 and 60 kJ mol–1, depending on the pyridine basicity and the halogen atom. In light of
Stilinović, Vladimir, Cinčić, Dominik
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Halogen Bond via an Electrophilic π-Hole on Halogen in Molecules: Does It Exist? [PDF]
International Journal of Molecular SciencesPradeep R Varadwaj
exaly +2 more sources