Anthony C Legon (A C Legon, Anthony Legon)

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 23

Top Topics

Molecular Dynamics Simulations

Reduced Graphene Oxide

Room Temperature

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Ibon Alkorta, Anthony C Legon
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)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Ibon Alkorta, Anthony C Legon
Reduced Nucleophilicities И B of Lewis Bases B: Is И B Independent of Whether B is Involved in a Hydrogen Bond or a Halogen Bond? ChemPlusChem 88 (2) (2023)
Ibon Alkorta, Anthony C Legon
Hydrogen-Bond Dissociation Energies from the Properties of Isolated Monomers. The journal of physical chemistry. A (2023)
Ibon Alkorta, Anthony C Legon
A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B. Physical chemistry chemical physics : PCCP 24 (11) (2022)
Ibon Alkorta, Anthony C Legon
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 : PCCP 24 (42) (2022)
Ibon Alkorta, Anthony C Legon
Nucleophilicity of the boron atom in compounds R-B, (R = F, Cl, Br, I, CN, NC, CH 3 , SiH 3 , CF 3 , H): a new look at the inductive effects of the group R. Physical chemistry chemical physics : PCCP 24 (21) (2022)
John Grant Hill, Anthony C Legon
Radial Potential Energy Functions of Linear Halogen-Bonded Complexes YX···ClF (YX = FB, OC, SC, N 2 ) and the Effects of Substituting X by Second-Row Analogues: Mulliken Inner and Outer Complexes. The journal of physical chemistry. A 126 (16) (2022)
Ibon Alkorta, Anthony C Legon
The Electrophilicities of XCF3 and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An Ab Initio Study. ChemPlusChem 86 (5) (2021)
Anthony C Legon, David G Lister, John H Holloway, Devendra Mani, Elangannan Arunan
Isolation of a Halogen-Bonded Complex Formed between Methane and Chlorine Monofluoride and Characterisation by Rotational Spectroscopy and Ab Initio Calculations. Molecules (Basel, Switzerland) 24 (23) (2019)
Eva Gougoula, Chris Medcraft, Ibon Alkorta, Nicholas R Walker, Anthony C Legon
A chalcogen-bonded complex H3N⋯S=C=S formed by ammonia and carbon disulfide characterised by chirped-pulse, broadband microwave spectroscopy. The Journal of chemical physics 150 (8) (2019)
Ibon Alkorta, Anthony C Legon
Systematic behaviour of electron redistribution on formation of halogen-bonded complexes BXY, as determined via XY halogen nuclear quadrupole coupling constants. Physical chemistry chemical physics : PCCP 21 (31) (2019)
Chris Medcraft, Eva Gougoula, Dror M Bittner, John C Mullaney, Susana Blanco, David P Tew, Nicholas R Walker, Anthony C Legon
Molecular geometries and other properties of H2O⋯AgI and H3N⋯AgI as characterised by rotational spectroscopy and ab initio calculations. The Journal of chemical physics 147 (23) (2018)
Ibon Alkorta, Anthony C Legon
An Ab Initio Investigation of the Geometries and Binding Strengths of Tetrel-, Pnictogen-, and Chalcogen-Bonded Complexes of CO₂, N₂O, and CS₂ with Simple Lewis Bases: Some Generalizations. Molecules (Basel, Switzerland) 23 (9) (2018)
Christer B Aakeröy, Saman Alavi, Lee Brammer, David L Bryce, Timothy Clark, Janet E Del Bene, Alison J Edwards, Catharine Esterhuysen, T N Guru Row, Pierre Kennepohl, Anthony C Legon, Gareth O Lloyd, Jane S Murray, William T Pennington, Peter Politzer, Kevin E Riley, Sergiy V Rosokha, Steve Scheiner, Seiji Tsuzuki, Ignacio Vargas-Baca
Computational approaches and sigma-hole interactions: general discussion. Faraday discussions (2017)
Ibon Alkorta, Anthony C Legon
Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds. Molecules (Basel, Switzerland) 22 (10) (2017)
Dror M Bittner, Daniel P Zaleski, David P Tew, Nicholas R Walker, Anthony C Legon
Highly Unsaturated Platinum and Palladium Carbenes PtC3 and PdC3 Isolated and Characterized in the Gas Phase. Angewandte Chemie (International ed. in English) 55 (11) (2016)
Dror M Bittner, Daniel P Zaleski, David P Tew, Nicholas R Walker, Anthony C Legon
Highly Unsaturated Platinum and Palladium Carbenes PtC3 and PdC3 Isolated and Characterized in the Gas Phase. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 128 (11) (2016)
John C Mullaney, Daniel P Zaleski, David P Tew, Nicholas R Walker, Anthony C Legon
Geometry of an Isolated Dimer of Imidazole Characterised by Rotational Spectroscopy and Ab Initio Calculations. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (8) (2016)