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Themed collection 1st International Conference on Noncovalent Interactions

108 items - Showing page 1 of 2
Accepted Manuscript - Paper

Supramolecular Zwitterions Based on a Novel Boronic Acid-Squarate Dianion Synthon

Accepted Manuscript - Paper

On the Capability of Metal-Halogen Groups to Participate in Halogen Bonds

Communication

Characterization of the short O[double bond, length as m-dash]C⋯O[double bond, length as m-dash]C π-hole tetrel bond in the solid state

An in-depth structure database investigation and experimental charge density analysis of the O[double bond, length as m-dash]C⋯O[double bond, length as m-dash]C π-hole tetrel bonds.

Graphical abstract: Characterization of the short O [[double bond, length as m-dash]] C⋯O [[double bond, length as m-dash]] C π-hole tetrel bond in the solid state
Communication

Anion–π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution

The positive ESPs that underlie anion-binding by N-heterocycles do not stem from a depletion of π-electron density, as widely assumed.

Graphical abstract: Anion–π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution
Communication

Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object

Demonstrating the power of network topology analysis on a 46 000 Å3 unit cell containing 12 independent Ag(I) coordination entities.

Graphical abstract: Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object
Communication

A hand-twisted helical crystal based solely on hydrogen bonding

Third-generation crystal engineering: using halogen bond/hydrogen bond equivalence.

Graphical abstract: A hand-twisted helical crystal based solely on hydrogen bonding
Communication

Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

Herein we report the X-ray characterization of four sildenafil solvates where the conformation of the pyrazolo[3,4-d]pyrimidine and phenyl rings depends on the solvent.

Graphical abstract: Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates
Communication

A rare example of a phosphine as a halogen bond acceptor

The cocrystal of triphenylphosphine with 1,3,5-trifluoro-2,4,6-triiodobenzene features a rare, moderately strong, and linear phosphorus–iodine halogen bond.

Graphical abstract: A rare example of a phosphine as a halogen bond acceptor
Communication

Photoresponsive liquid crystals based on halogen bonding of azopyridines

A series of photoresponsive halogen-bonded liquid crystals (LCs) were successfully constructed using molecular halogen and azopyridine compounds, which show interesting properties of photoinduced phase transition upon UV irradiation.

Graphical abstract: Photoresponsive liquid crystals based on halogen bonding of azopyridines
Open Access Communication

H-bond competition experiments in solution and the solid state

When two different H-bond acceptors compete for a single H-bond donor, the outcomes in crystal structures of simple molecules are consistent with the results of solution phase measurements in non-polar solvents.

Graphical abstract: H-bond competition experiments in solution and the solid state
Communication

Tridentate C–I⋯O–N+ halogen bonds

N-Oxides can act as tridentate halogen bond acceptors, or as tetradentate ligands in a pseudo-μ4 mode with silver(I).

Graphical abstract: Tridentate C–I⋯O−–N+ halogen bonds
Open Access Communication

The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

Graphical abstract: The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions
Open Access Edge Article

Supramolecular cage encapsulation as a versatile tool for the experimental quantification of aromatic stacking interactions

A Double Mutant Cycle is built up using a supramolecular cage that binds two aromatic carboxylates in a stacked geometry is used to quantify aromatic stacking interactions.

Graphical abstract: Supramolecular cage encapsulation as a versatile tool for the experimental quantification of aromatic stacking interactions
Communication

Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry

The common electrostatic features of ethynyl and iodoethynyl hydrogen- and halogen-bond donors, respectively, lead to synthon mimicry which can be employed in synthetic crystal engineering for the construction of identical supramolecular assemblies in the solid-state.

Graphical abstract: Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry
Communication

Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]⋯I2⋯(CH3OH)⋯I2⋯[RuI2(H2dcbpy)(CO)2]

A new type of concerted halogen bond–hydrogen bond interaction was found in the solid state structure of [RuI2(H2dcbpy)(CO)2]⋯I2⋯(MeOH)⋯I2⋯[RuI2(H2dcbpy)(CO)2].

Graphical abstract: Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]⋯I2⋯(CH3OH)⋯I2⋯[RuI2(H2dcbpy)(CO)2]
Paper

Electrostatic compression on non-covalent interactions: the case of π stacks involving ions

Communication

Weak becomes strong: remarkable strength of C–H⋯π hydrogen bond in the presence of O–H⋯O hydrogen bonds in the crystal stabilization

We report crystallographic evidence for the significance of C–H⋯π hydrogen bonds in the crystal stabilization of 1,4-di-O-benzoyl-myo-inositol. The strength of this otherwise weak hydrogen bond matches with the strength of O–H⋯O hydrogen bonds.

Graphical abstract: Weak becomes strong: remarkable strength of C–H⋯π hydrogen bond in the presence of O–H⋯O hydrogen bonds in the crystal stabilization
Communication

Hydrogen bond assisted activation of a dinitrile towards nucleophilic attack

The possibility of regioselective activation of a dinitrile towards nucleophilic attack using a resonance-assisted hydrogen bond system is demonstrated.

Graphical abstract: Hydrogen bond assisted activation of a dinitrile towards nucleophilic attack
Paper

Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity

Benzylic selenocyanates are versatile anion receptors which operate in solution and in the solid state via chalcogen bonding interactions.

Graphical abstract: Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity
Feature Article

Far infrared spectroscopy of hydrogen bonding collective motions in complex molecular systems

Far infrared spectroscopy as a tool for the study of inter and intramolecular interactions in complex molecular structures.

Graphical abstract: Far infrared spectroscopy of hydrogen bonding collective motions in complex molecular systems
Paper

Simple design for metal-based halogen-bonded cocrystals utilizing the M–Cl⋯I motif

The halogen bonding proclivity of the chlorine atom coordinated to the Co(II) metal centre has been explored by synthesis and crystal structure analysis of a family of 12 novel metal-based halogen-bonded cocrystals with iodine-based donors.

Graphical abstract: Simple design for metal-based halogen-bonded cocrystals utilizing the M–Cl⋯I motif
Open Access Edge Article

Nanobowls with controlled openings and interior holes driven by the synergy of hydrogen bonding and π–π interaction

Nanobowls with controlled openings and interior holes are created by self-assembly of homopolymers with hydrogen bonding and π–π interaction.

Graphical abstract: Nanobowls with controlled openings and interior holes driven by the synergy of hydrogen bonding and π–π interaction
Communication

Photoinduced reversible spin-state switching of an FeIII complex assisted by a halogen-bonded supramolecular network

The organization of a molecular FeIII complex embedded in a halogen-bonded 2D network is chemically tuned to trigger temperature- and light-induced spin-state switching.

Graphical abstract: Photoinduced reversible spin-state switching of an FeIII complex assisted by a halogen-bonded supramolecular network
Open Access Paper

Regulation of coin metal substituents and cooperativity on the strength and nature of tetrel bonds

Ab initio calculations have been performed for the tetrel-bonded dyad MCN⋯TF4 (M = Cu, Ag, and Au; T = C, Si, Ge, and Sn) and C2H4…MCN…TF4 and C2(CN)4…MCN…TF4.

Graphical abstract: Regulation of coin metal substituents and cooperativity on the strength and nature of tetrel bonds
Open Access Edge Article

Hydrogen bonding vs. halogen bonding: the solvent decides

Choice of solvent is used to direct the formation of either hydrogen bonds or halogen bonds in competitive self-assembly.

Graphical abstract: Hydrogen bonding vs. halogen bonding: the solvent decides
Open Access Perspective

Harnessing non-covalent interactions to exert control over regioselectivity and site-selectivity in catalytic reactions

This perspective examines the progress that has been made in using non-covalent interactions to control regioselectivity and site-selectivity in catalysis.

Graphical abstract: Harnessing non-covalent interactions to exert control over regioselectivity and site-selectivity in catalytic reactions
Paper

Comparison of isomeric meta- and para-diiodotetrafluorobenzene as halogen bond donors in crystal engineering

The ability of meta- and para-diiodotetrafluorobenzene to act as halogen bond donors in crystal engineering has been compared by the synthesis and crystal structure analysis of a family of 20 novel halogen-bonded cocrystals with simple monotopic and ditopic nitrogen-based acceptors.

Graphical abstract: Comparison of isomeric meta- and para-diiodotetrafluorobenzene as halogen bond donors in crystal engineering
Paper

The halogen bonding proclivity of the ortho-methoxy–hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes

Novel halogen bonded o-hydroxy imine cocrystals with 1,2-, 1,3- and 1,4-diiodotetrafluorobenzene have been synthesized. We present an insight into the halogen bond acceptor potential of the ortho-methoxy–hydroxy group of the o-vanillin moiety.

Graphical abstract: The halogen bonding proclivity of the ortho-methoxy–hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes
Open Access Paper

Non-covalent interactions in anisole–(CO2)n (n = 1, 2) complexes

Non-covalent interactions are a ubiquitous binding motif and a challenge for theory and experiments.

Graphical abstract: Non-covalent interactions in anisole–(CO2)n (n = 1, 2) complexes
Open Access Edge Article

Polarisation effects on the solvation properties of alcohols

Alcohol solvents are significantly more polar than expected based on the measured H-bonding properties of monomeric alcohols in dilute solution.

Graphical abstract: Polarisation effects on the solvation properties of alcohols
Paper

π-Hole aerogen bonding interactions

High level ab initio calculations combined with the analysis of available X-ray structures demonstrate the importance of π-hole aerogen bonding interactions in Xe(IV) compounds. The ability of square planar XeF4 and Xe(OMe)4 compounds to interact with electron rich molecules is rationalized using several computational tools.

Graphical abstract: π-Hole aerogen bonding interactions
Open Access Communication

Halogen bonding between metal centers and halocarbons

Metal-involving halogen bonding was detected in a series of associates of CHI3 with trans-[PtX2(NCNAlk2)2] (X = Cl, Br).

Graphical abstract: Halogen bonding between metal centers and halocarbons
Paper

Enhancement of anion recognition exhibited by a zinc-imidazole-based ion-pair receptor composed of C–H hydrogen- and halogen-bond donor groups

A 2-haloimidazole derivative behaves as an anion-pair receptor in which the anion is recognised by a combination of nonconventional interactions.

Graphical abstract: Enhancement of anion recognition exhibited by a zinc-imidazole-based ion-pair receptor composed of C–H hydrogen- and halogen-bond donor groups
Paper

Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicin

n→π* interaction is present in the structure of salicin when it is bound to enzyme as well as in free state and the conformational preference of salicin is due to interplay between strong hydrogen bond and n→π* interaction.

Graphical abstract: Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicin
Paper

Halogen, chalcogen and pnictogen interactions in (XNO2)2 homodimers (X = F, Cl, Br, I)

XNO2 (X = F, Cl, Br and I) homodimers present a large variety of interactions. A combination of pnictogen and chalcogen is stronger than single halogen bonds.

Graphical abstract: Halogen, chalcogen and pnictogen interactions in (XNO2)2 homodimers (X = F, Cl, Br, I)
Paper

The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations

Charge transfer interactions, along with electrostatic and polarization interactions, are important for the strength of hydrogen bonding when poorly electronegative atoms act as hydrogen bond acceptors.

Graphical abstract: The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations
Feature Article

Co-crystal synthesis: fact, fancy, and great expectations

Some strategies for driving co-crystal synthesis using a variety of competing non-covalent interactions are presented.

Graphical abstract: Co-crystal synthesis: fact, fancy, and great expectations
Open Access Edge Article

pH controlled assembly of a self-complementary halogen-bonded dimer

Halogen bonding between an oxygen acceptor and an iodotriazole donor can be switched on an off by cycling the solution pH.

Graphical abstract: pH controlled assembly of a self-complementary halogen-bonded dimer
Communication

Assisted π-stacking: a strong synergy between weak interactions

An exceptionally strong synergy between aromatic π-stacking and n → π* interaction.

Graphical abstract: Assisted π-stacking: a strong synergy between weak interactions
Communication

Fluorination promotes chalcogen bonding in crystalline solids

Flurorine promotes the electrophilicity of sulfur to the point that chalcogen bond formation affects the crystal packing in the solid.

Graphical abstract: Fluorination promotes chalcogen bonding in crystalline solids
Perspective

Hydrogen bonds, and σ-hole and π-hole bonds – mechanisms protecting doublet and octet electron structures

For various interactions electron charge shifts try to protect the former doublet or octet electronic structure of the Lewis acid centre.

Graphical abstract: Hydrogen bonds, and σ-hole and π-hole bonds – mechanisms protecting doublet and octet electron structures
Communication

Coordinated nitrate anions can be directional π-hole donors in the solid state: a CSD study

Within the CSD sp2 O-atoms cluster closer to the π-hole of NO3 when nitrate is coordinated to a metal.

Graphical abstract: Coordinated nitrate anions can be directional π-hole donors in the solid state: a CSD study
Open Access Paper

Weak interactions within nitryl halide heterodimers

Nitryl halides (XNO2, X = F, Cl, Br and I) are versatile molecules that exhibit several types of interactions within XNO2:YNO2 heterodimers mainly governed by dispersion.

Graphical abstract: Weak interactions within nitryl halide heterodimers
Paper

Concurrent aerogen bonding and lone pair/anion–π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study

We have studied the ability of organoxenon compounds to establish concurrent aerogen bonding and lone pair/anion–π interactions. In addition, NBO and AIM analysis have been carried out to further characterize the interactions discussed herein. Some CSD examples were found, giving reliability to the theoretical results presented.

Graphical abstract: Concurrent aerogen bonding and lone pair/anion–π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study
Paper

Implications of monomer deformation for tetrel and pnicogen bonds

Monomer rearrangement raises the interaction energy by up to 20 kcal mol−1 and intensifies its σ-hole by a factor of 1.5–2.9.

Graphical abstract: Implications of monomer deformation for tetrel and pnicogen bonds
Paper

The role of unconventional stacking interactions in the supramolecular assemblies of Hg(II) coordination compounds

We report nine Hg(II) complexes with piconyl hydrazone based ligands exhibiting relevant chelate–π interactions that have been characterized using DFT calculations.

Graphical abstract: The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds
Communication

Palladium(II) N-heterocyclic allenylidene complexes with extended intercationic Pd⋯Pd interactions and MMLCT phosphorescence

Pallas's shine: extended intercationic Pd⋯Pd contacts of 3.30 Å show distinct MMLCT transitions and low-energy emissions.

Graphical abstract: Palladium(ii) N-heterocyclic allenylidene complexes with extended intercationic Pd⋯Pd interactions and MMLCT phosphorescence
Open Access Communication

The non-planarity of the benzene molecule in the X-ray structure of the chelated bismuth(III) heteroboroxine complex is not supported by quantum mechanical calculations

The competition of two σ-hole(Bi)⋯π interactions is responsible for disorder of the benzene moiety in the crystal of bismuth(III) heteroboroxine–benzene complex.

Graphical abstract: The non-planarity of the benzene molecule in the X-ray structure of the chelated bismuth(iii) heteroboroxine complex is not supported by quantum mechanical calculations
Communication

Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene

Novel halogen bonded cocrystals of aromatic aldehydes have been synthesized. We present the halogen bond acceptor potential of the aldehyde group oxygen atom in competition with the hydroxy, methoxy and pyridine groups.

Graphical abstract: Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene
Paper

Non-covalent tetrel bonding interactions in hemidirectional lead(II) complexes with nickel(II)-salen type metalloligands

Tetrel bonding interactions have been investigated in hetero-dinuclear nickel(II)/lead(II) complexes using MEP and DFT calculations.

Graphical abstract: Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands
Paper

Intermolecular charge fluxes and far-infrared spectral intensities of liquid formamide

Intermolecular charge fluxes induced by hydrogen-bond length modulations occurring upon molecular librations lead to intensity enhancement of the far-infrared spectrum.

Graphical abstract: Intermolecular charge fluxes and far-infrared spectral intensities of liquid formamide
Paper

On the σ, π and δ hole interactions: a molecular orbital overview

With molecular orbital theory it is possible to distinguish and design σ, π and the elusive δ electrostatic holes.

Graphical abstract: On the σ, π and δ hole interactions: a molecular orbital overview
Paper

Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution

The secondary interaction between an atom of tellurium and different Lewis bases has been studied by charge displacement analysis, providing a detailed description of the interaction and a computational insight into experimental data.

Graphical abstract: Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution
Communication

Model molecules to classify CH⋯O hydrogen-bonds

A set of molecules locked in the CH⋯O H-bonding conformation has been used to correlate the magnitude of the downfield shift of the 1H NMR signal due to the bridging hydrogen with the hybridization state of the acceptor oxygen and the CH⋯O H-bond strength.

Graphical abstract: Model molecules to classify CH⋯O hydrogen-bonds
Communication

A rational molecular design of triazine-containing alkynylplatinum(II) terpyridine complexes and the formation of helical ribbons via Pt⋯Pt, π–π stacking and hydrophobic–hydrophobic interactions

The self-assembly of strategically designed triazine-containing alkynylplatinum(II) terpyridine complexes yielded sophisticated helical ribbons through a balance of multiple non-covalent interactions.

Graphical abstract: A rational molecular design of triazine-containing alkynylplatinum(ii) terpyridine complexes and the formation of helical ribbons via Pt⋯Pt, π–π stacking and hydrophobic–hydrophobic interactions
Communication

The nature of interactions of benzene with CF3I and CF3CH2I

Weak though structure determining interactions exist between benzene and F3CI or F3CCH2I; their natures are quite different and lead to different types of networks.

Graphical abstract: The nature of interactions of benzene with CF3I and CF3CH2I
Communication

Non-covalent graphene nanobuds from mono- and tripodal binding motifs

Dispersion forces govern the interaction of graphene with mono- and tripodal pyrene–[60]fullerene derivatives and direct the formation of graphene nanobuds.

Graphical abstract: Non-covalent graphene nanobuds from mono- and tripodal binding motifs
Communication

Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin

A supramolecular motif listed as ‘carbon bonded’ or ‘hydrogen bonded’ may have the character of both. We highlight the hybrid character of the non-covalent interaction in a bis-Schiff base of N-allyl isatin by combining theory and experiment.

Graphical abstract: Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin
Communication

Spin-state modulation of molecular FeIII complexes via inclusion in halogen-bonded supramolecular networks

The cationic complex [Fe(qsal)2]+ (Hqsal = N-(8-quinolyl)salicylaldimine) is encapsulated in halogen-bonded 1D and 2D supramolecular networks to modulate its spin-state.

Graphical abstract: Spin-state modulation of molecular FeIII complexes via inclusion in halogen-bonded supramolecular networks
Open Access Paper

Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(II) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations

We report the synthesis and X-ray characterization of four new Pb(II) complexes of nicotinoylhydrazone and picolinoylhydrazone-based ligands and three different anionic co-ligands (acetate, thiocyanate and iodide) exhibiting relevant tetrel bonding interactions.

Graphical abstract: Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations
Open Access Feature Article

Polyaromatic N-heterocyclic carbene ligands and π-stacking. Catalytic consequences

This article highlights how π-stacking interactions have an important influence on the catalytic properties of transition metal complexes decorated with rigid polyaromatic ligands.

Graphical abstract: Polyaromatic N-heterocyclic carbene ligands and π-stacking. Catalytic consequences
Paper

Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin

Molecular and ionic co-crystals of melatonin with piperazine, DABCO and CaCl2 were obtained via kneading with ethanol: the solubility of melatonin in H2O increases by an order of magnitude when combined with CaCl2.

Graphical abstract: Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin
Open Access Paper

Theoretical study on σ- and π-hole carbon⋯carbon bonding interactions: implications in CFC chemistry

In this manuscript the ability of CO2 and several CFCs to establish noncovalent carbon⋯carbon interactions with atmospheric gases CO, ethene and ethyne has been studied at the RI-MP2/def2-TZVPD level of theory.

Graphical abstract: Theoretical study on σ- and π-hole carbon⋯carbon bonding interactions: implications in CFC chemistry
Paper

Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors

We report accurate high-resolution X-ray diffraction analysis of three single crystals: 1,4-dinitrobenzene, a co-crystal of cis-tartaric acid and bis-pyridine N-oxide and pyridine-4-boronic acid hydrochloride and compare the electron density characteristics of the π-hole interactions present in the solids.

Graphical abstract: Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors
Paper

Behaviour of cation–pi interaction in presence of external electric field

External electric field effects cation–π interaction.

Graphical abstract: Behaviour of cation–pi interaction in presence of external electric field
Paper

transcis C–Pd–C rearrangement in hemichelates

In the transition state of the transcis isomerization process, hemichelation dynamically offers alternative coordination positions to the Pd center.

Graphical abstract: trans–cis C–Pd–C rearrangement in hemichelates
Paper

Selective induced polarization through electron transfer in acetone and pyrazole ester derivatives via C–H⋯O[double bond, length as m-dash]C interaction

A set of organic compounds (pyrazole ester derivatives, viz. 5-[3-(substituted)-propoxy]-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester and 5-[2-(substituted)-ethoxy]-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester) was synthesized and their affinity and stability towards the acetone molecule were tested by NMR.

Graphical abstract: Selective induced polarization through electron transfer in acetone and pyrazole ester derivatives via C–H⋯O [[double bond, length as m-dash]] C interaction
Paper

Aerogen bonds formed between AeOF2 (Ae = Kr, Xe) and diazines: comparisons between σ-hole and π-hole complexes

AeOF2 (Ae = Kr, Xe) engages in noncovalent aerogen bonds with diazines, of both σ-hole and π-hole type. The former are particularly stable, several times stronger than typical H-bonds.

Graphical abstract: Aerogen bonds formed between AeOF2 (Ae = Kr, Xe) and diazines: comparisons between σ-hole and π-hole complexes
Paper

Organic molecular tessellations and intertwined double helices assembled by halogen bonding

Crystalline polymorphs featuring halogen-bonded single-component supramolecular polygonal tessellations, a network of 41- and 43-double helices, and intertwined 31 and 32meso-helices.

Graphical abstract: Organic molecular tessellations and intertwined double helices assembled by halogen bonding
Paper

Complex electronic interplay of σ-hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones

A detailed quantitative investigation of different σ and π-hole interactions present in the derivatives of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones.

Graphical abstract: Complex electronic interplay of σ-hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones
108 items - Showing page 1 of 2

About this collection

Noncovalent interactions (hydrogen, aerogen, halogen, chalcogen, pnictogen, tetrel and icosagen bonds, as well as cation-π, anion-π, lone pair-π, π-π stacking, agostic, pseudo-agostic, anagostic, dispersion-driven, lipophilic, etc.) concern weak forces of attraction formed between different molecules (intermolecular) or fragments of the same molecule (intramolecular). While these weak interactions were firstly taken into consideration by van der Waals in 1873, the understanding of their crucial role in synthesis, catalysis, crystal engineering, pharmaceutical design, molecular biology, molecular recognition, materials, etc. has been increasingly explored in the last few decades. Thus, it is timely to establish a general/regular series of International Conferences on Noncovalent Interactions (ICNI), the first of which is to be held on 2-6 September 2019 in Lisbon. The conference aims to bring together scientists from around the world working on this field in order to exchange ideas, discuss recent advances and future directions/plans.

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