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Theoretical study on intermolecular interactions between furan and dihalogen molecules XY(X,Y=F,Cl,Br)

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1096-987x(200102)22:3<327::aid-jcc1005>3.0.co;2-zopenalex-snapshot

Charge redistribution effect on the properties of charge transfer complexes HnR?XY and HnR?X2 (X, Y = F, Cl, Br, I; R = O, S, N, P)

inferredcites →https://doi.org/10.1002/cjoc.200690287openalex-snapshot

Study on the Cation‐π Interactions between Ammonium Ion and Aromatic π Systems

inferredcites →https://doi.org/10.1016/0009-2614(78)80337-6openalex-snapshot

Electric dipole moment of BrCl

inferredcites →https://doi.org/10.1016/0009-2614(90)85244-7openalex-snapshot

REMPI fragmentation as a probe of hydrogen bonding in aromatic-X clusters

inferredcites →https://doi.org/10.1016/0022-2852(79)90075-4openalex-snapshot

Microwave spectrum, quadrupole hyperfine interaction, and electric dipole moment of the BrF molecule

inferredcites →https://doi.org/10.1016/s0009-2614(01)01284-2openalex-snapshot

Strained π-systems as hydrogen bond acceptors: the case of benzyne

inferredcites →https://doi.org/10.1016/s0009-2614(97)00491-0openalex-snapshot

The rotational spectrum of the benzene-hydrogen bromide complex

inferredcites →https://doi.org/10.1016/s0009-2614(97)01095-6openalex-snapshot

Nature of complexes B … ClF in the gas phase: Conclusions from systematic variation of the Lewis base B and a comparison of the B … ClF/B … HCl series.

inferredcites →https://doi.org/10.1016/s0009-2614(98)00587-9openalex-snapshot

Comparisons of the interactions of benzene, furan and thiophene with Lewis acids: the rotational spectrum of thiophene⋯HF

inferredcites →https://doi.org/10.1016/s0009-2614(98)01200-7openalex-snapshot

Rotational spectrum of thiophene⋯ClF and the role of thiophene as a π- or n-electron pair donor in weakly bound complexes

inferredcites →https://doi.org/10.1016/s0022-2860(98)00340-8openalex-snapshot

The rotational spectrum of the pyridine-hydrogen fluoride complex

inferredcites →https://doi.org/10.1021/cr00088a005openalex-snapshot

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

inferredcites →https://doi.org/10.1021/cr990050qopenalex-snapshot

Blue-Shifting Hydrogen Bonds

inferredcites →https://doi.org/10.1021/cr990051iopenalex-snapshot

Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies

inferredcites →https://doi.org/10.1021/cr990055nopenalex-snapshot

The Structure of Microsolvated Benzene Derivatives and the Role of Aromatic Substituents

inferredcites →https://doi.org/10.1021/j100364a032openalex-snapshot

Infrared matrix isolation investigation of the molecular complexes of chlorine monofluoride with benzene and its derivatives

inferredcites →https://doi.org/10.1021/j100379a022openalex-snapshot

Explorations on the potential surfaces of AHn-benzene complexes

inferredcites →https://doi.org/10.1021/ja00045a035openalex-snapshot

Double partial cone conformation for Na8{calix[6]arene sulfonate}.cntdot.20.5H2O and its parent acid

inferredcites →https://doi.org/10.1021/ja01157a151openalex-snapshot

Structures of Complexes Formed by Halogen Molecules with Aromatic and with Oxygenated Solvents 1

inferredcites →https://doi.org/10.1021/ja049434aopenalex-snapshot

Substituent Effects in π−π Interactions: Sandwich and T-Shaped Configurations

inferredcites →https://doi.org/10.1021/jp0113275openalex-snapshot

The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies

inferredcites →https://doi.org/10.1021/jp062740lopenalex-snapshot

Aliphatic C−H/π Interactions: Methane−Benzene, Methane−Phenol, and Methane−Indole Complexes

inferredcites →https://doi.org/10.1021/jp9633254openalex-snapshot

Ab Initio Study of the Hydrogen Bonding between Pyrrole and Hydrogen Fluoride: A Comparison of NH···F and FH···π Interactions

inferredcites →https://doi.org/10.1021/jp9708557openalex-snapshot

Ab Initio Potential Energy Surface and Infrared Spectrum of the Ne−CO Complex

inferredcites →https://doi.org/10.1021/jp971893topenalex-snapshot

Unusual Hydrogen Bonds: H···π Interactions

inferredcites →https://doi.org/10.1039/a707432hopenalex-snapshot

Rotational spectrum, H, F nuclear spin–nuclear spin coupling and structure of the furan–HF dimer

inferredcites →https://doi.org/10.1039/a708458gopenalex-snapshot

Is pyridinium hydrochloride a simple hydrogen-bonded complex C5H5N···HCl or an ion pair C5H5NH+···Cl- in the gas phase? An answer from its rotational spectrum

inferredcites →https://doi.org/10.1039/a800767eopenalex-snapshot

Rotational spectrum of thiophene···HCl Does thiophene act as an aromatic π-type electron donor or an n-type electron donor in hydrogen-bond formation?

inferredcites →https://doi.org/10.1039/a804541kopenalex-snapshot

Evidence concerning the relative nucleophilicities of non-bonding and π-bonding electrons in furan from the rotational spectrum of furan···ClF

inferredcites →https://doi.org/10.1039/a907395gopenalex-snapshot

Dynamics of ionization processes of the ethylene–HF complex: a direct ab-initio dynamics study

inferredcites →https://doi.org/10.1039/b102386copenalex-snapshot

Isotope effects in X–H···π type hydrogen-bonded complexes (X = F, Cl or Br)

inferredcites →https://doi.org/10.1039/b206135jopenalex-snapshot

Proton shielding calculations in C 6 H 6 ⋯H–CX 3 , X = H, F, Cl and Br, complexes

inferredcites →https://doi.org/10.1039/cs9871600467openalex-snapshot

Angular geometries and other properties of hydrogen-bonded dimers: a simple electrostatic interpretation of the success of the electron-pair model

inferredcites →https://doi.org/10.1039/dc9827300071openalex-snapshot

Determination of properties of hydrogen-bonded dimers by rotational spectroscopy and a classfication of dimer geometries

inferredcites →https://doi.org/10.1063/1.1289250openalex-snapshot

Infrared spectra of the C2H2–HCl complexes: An experimental and ab initio study

inferredcites →https://doi.org/10.1063/1.1486440openalex-snapshot

Infrared spectra of C2H4–HCl complex

inferredcites →https://doi.org/10.1063/1.1488920openalex-snapshot

Are members of the family of hydrogen-bonded complexes formed by furan with the hydrogen halides isostructural? An answer from the rotational spectrum of furan⋯HBr

inferredcites →https://doi.org/10.1063/1.433908openalex-snapshot

Molecular beam Zeeman effect and dipole moment sign of ClF

inferredcites →https://doi.org/10.1063/1.445178openalex-snapshot

The rotational spectrum and molecular structure of the furan–HCl complex

inferredcites →https://doi.org/10.1063/1.459474openalex-snapshot

The spectroscopy and dynamics of π hydrogen-bonded complexes: Benzene–HCl/DCl and toluene–HCl/DCl

inferredcites →https://doi.org/10.1063/1.461528openalex-snapshot

Many-body symmetry-adapted perturbation theory of intermolecular interactions. H2O and HF dimers

inferredcites →https://doi.org/10.1063/1.464296openalex-snapshot

Symmetry-adapted perturbation theory calculation of the Ar–H2 intermolecular potential energy surface

inferredcites →https://doi.org/10.1063/1.465554openalex-snapshot

Many-body perturbation theory of electrostatic interactions between molecules: Comparison with full configuration interaction for four-electron dimers

inferredcites →https://doi.org/10.1063/1.467218openalex-snapshot

Many-body theory of intermolecular induction interactions

inferredcites →https://doi.org/10.1063/1.467225openalex-snapshot

Many-body theory of exchange effects in intermolecular interactions. Density matrix approach and applications to He–F−, He–HF, H2–HF, and Ar–H2 dimers

inferredcites →https://doi.org/10.1063/1.476139openalex-snapshot

Benzene-hydrogen halide interactions: Theoretical studies of binding energies, vibrational frequencies, and equilibrium structures

inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

inferredcites →https://doi.org/10.1080/00268978300101481openalex-snapshot

Electric field-gradient-induced birefringence in N2, C2H6, C3H6, Cl2, N2O and CH3F

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4728647openalex-extracted

Electronic Structure Insights into Noncovalent Interactions between Aromatic Heterocycles and Formic Acid

inferred← citeshttps://doi.org/10.1002/pro.2201openalex-snapshot

Halogen bonding (X‐bonding): A biological perspective

inferred← citeshttps://doi.org/10.1002/qua.70182openalex-snapshot

Quantum Chemical Insights Into Noncovalent Interactions Between Aromatic Heterocycles and Formic Acid

inferred← citeshttps://doi.org/10.1016/j.comptc.2011.11.013openalex-snapshot

Comparisons of the halogen-bonded and hydrogen-bonded complexes of furan, thiophene and pyridine with Lewis acids (ClF, HCl)

inferred← citeshttps://doi.org/10.1016/j.comptc.2013.05.019openalex-snapshot

Theoretical characters and nature of the intermolecular lithium bonded interactions B⋯LiCN/LiNC (B=pyridine, furan and thiophene)

inferred← citeshttps://doi.org/10.1016/j.theochem.2008.01.032openalex-snapshot

Characteristics and nature of the intermolecular interactions between thiophene and XY(X, Y = F, Cl, Br): A theoretical study

inferred← citeshttps://doi.org/10.1021/acs.jpca.5b00783openalex-snapshot

Se···N Chalcogen Bond and Se···X Halogen Bond Involving F2C═Se: Influence of Hybridization, Substitution, and Cooperativity

inferred← citeshttps://doi.org/10.1039/c8cp04075copenalex-snapshot

Nature of halogen bonding involving π-systems, nitroxide radicals and carbenes: a highlight of the importance of charge transfer

inferred← citeshttps://doi.org/10.1063/1.3373884openalex-snapshot

Structure, properties, and nature of the pyridine-XY (X, Y=F, Cl, Br) complexes: An ab initio study

inferred← citeshttps://doi.org/10.53846/goediss-7629openalex-snapshot

Intermolecular energy scales based on aromatic ethers and alcohols

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