A. C. Legon

University of Bristol — United Kingdom

Chemistry · Physical Sciences

57h-index20.8kcitations526works14.42yr avg
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Research Topics

Molecular Spectroscopy and Structure(444), Advanced Chemical Physics Studies(386), Atmospheric Ozone and Climate(227), Spectroscopy and Laser Applications(83), Inorganic Fluorides and Related Compounds(83)

Publications526 total

Variation of Nucleophilicity <i>N</i><sub>H<i>n</i>A</sub> of Atoms A in Hydrides H<sub><i>n</i></sub>A with the Group and Row of A in the Periodic Table
ChemPhysChem·2025· 1 citedOpen Access
Definition of the Pnictogen Bond
IUPAC Standards Online·2025
Nucleophilicity of diatomic Lewis bases MA in hydrogen-bonded complexes MA⋯HX: influence of the group and row of M in the periodic table
Physical Chemistry Chemical Physics·2025Open Access
Simple carbenes as hydrogen bond acceptors: <i>ab initio</i> determination of nucleophilicities and reduced nucleophilicities
Physical Chemistry Chemical Physics·2024· 1 citedOpen Access
<i>Ab Initio</i> Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H<sub>3</sub>MX, M–O or M–S (M = Si, Ge, or Sn) and the Lewis Bases B = N<sub>2</sub>, CO, HCCH, PH<sub>3</sub>, C<sub>2</sub>H<sub>4</sub>, HCN, CS, HNC, NP, H<sub>2</sub>O, and NH<sub>3</sub>
The Journal of Physical Chemistry A·2024· 3 citedOpen Access
Monohydrides of the Group 13 Elements M=B, Al and Ga: Axial Bi‐Nucleophilicity and the Propensity to Form Both H−M⋅⋅⋅HX and M−H⋅⋅⋅HX Hydrogen Bonds (X=F, Cl, Br, I, CN, CCH, CP)
ChemPlusChem·2024· 3 citedOpen Access
Definition of the pnictogen bond (IUPAC Recommendations 2023)
Pure and Applied Chemistry·2024· 93 citedOpen Access
Nucleophilicities of the simplest saturated and unsaturated hydrocarbons
Chemical Physics Letters·2023· 4 citedOpen Access
Hydrogen-Bond Dissociation Energies from the Properties of Isolated Monomers
The Journal of Physical Chemistry A·2023· 9 citedOpen Access
Reduced Nucleophilicities И<sub>B</sub> of Lewis Bases B: Is И<sub>B</sub> Independent of Whether B is Involved in a Hydrogen Bond or a Halogen Bond?
ChemPlusChem·2023· 4 citedOpen Access
The microwave spectrum of the C2H2…AgI complex assigned and analysed using PGOPHER
Journal of Molecular Spectroscopy·2022Open Access
Radial Potential Energy Functions of Linear Halogen-Bonded Complexes YX···ClF (YX = FB, OC, SC, N<sub>2</sub>) and the Effects of Substituting X by Second-Row Analogues: Mulliken Inner and Outer Complexes
The Journal of Physical Chemistry A·2022· 3 citedOpen Access
A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B
Physical Chemistry Chemical Physics·2022· 7 citedOpen Access
Nucleophilicity of the boron atom in compounds R–B, (R = F, Cl, Br, I, CN, NC, CH<sub>3</sub>, SiH<sub>3</sub>, CF<sub>3</sub>, H): a new look at the inductive effects of the group R
Physical Chemistry Chemical Physics·2022· 11 citedOpen Access
Reduced nucleophilicity: an intrinsic property of the Lewis base atom interacting with H in hydrogen-bonds with Lewis acids HX (X = F, Cl, Br, I, CN, CCH, CP)
Physical Chemistry Chemical Physics·2022· 11 citedOpen Access
Definition of the Chalcogen Bond (IUPAC Recommendations 2019)
IUPAC Standards Online·2021· 4 cited
The Electrophilicities of XCF<sub>3</sub> and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An <i>Ab Initio</i> Study
ChemPlusChem·2021· 9 citedOpen Access
An Assessment of Radial Potential Functions for the Halogen Bond: Pseudo‐Diatomic Models for Axially Symmetric Complexes B⋅⋅⋅ClF (B=N<sub>2</sub>, CO, PH<sub>3</sub>, HCN, and NH<sub>3</sub>)
ChemPlusChem·2021· 6 citedOpen Access
Non-Covalent Interactions of the Lewis Acids Cu–X, Ag–X, and Au–X (X = F and Cl) with Nine Simple Lewis Bases B: A Systematic Investigation of Coinage–Metal Bonds by Ab Initio Calculations
Inorganics·2021· 13 citedOpen Access
A test of <i>ab initio</i>-generated, radial intermolecular potential energy functions for five axially-symmetric, hydrogen-bonded complexes B⋯HF, where B = N<sub>2</sub>, CO, PH<sub>3</sub>, HCN and NH<sub>3</sub>
Physical Chemistry Chemical Physics·2021· 2 citedOpen Access
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Frequent Co-authors

D. J. Millen(10), W. H. Flygare(10), Gautam R. Desiraju(5), Zbigniew Kisiel(5), Steve Scheiner(4), P. D. Aldrich(4), P. D. Soper(4), Pierangelo Metrangolo(3), Giuseppe Resnati(3), Kari Rissanen(3), N. W. Howard(3), E. Arunan(2), Roger A. Klein(2), Joanna Sadlej(2), Ibón Alkorta(2), David C. Clary(2), Robert H. Crabtree(2), Joseph J. Dannenberg(2), Pavel Hobza(2), Henrik G. Kjaergaard(2)