María de la Merced Montero-Campillo
Biography
|
M. Merced Montero-Campillo is a theoretical and computational chemist and Científica Titular at the Instituto de Química Médica (IQM-CSIC) in Madrid since 2026. She graduated in Chemistry (2003) and obtained her PhD in Theoretical and Computational Chemistry (2008) at the Universidade de Santiago de Compostela, followed by postdoctoral positions at Thompson Rivers University (Canada), the Università degli Studi di Milano-Bicocca (Italy) and the Universidade do Porto (Portugal). She then worked at the Universidad Autónoma de Madrid as a researcher (2012–2016), assistant professor (2018) and Profesora Permanente Laboral (2023–2025), with fellowships at Sorbonne Université's Laboratoire de Chimie Théorique in Paris (2019–2020) and at the Universidade de Vigo (2022–2023). Her publications focus on non-covalent interactions, in particular beryllium bonds, and their effects on molecular acidity and basicity. |
Profile
| Institution | IQM |
| Position | Científica Titular (CSIC) |
| Home page | https://theoreticalchemistrygroupuam.com/ |
| Contact email | mm.montero@iqmb.csic.es |
| ORCID | 0000-0002-9499-0900 |
BCB Hub
| BCB Committee | Not a member |
| BCB Tools | |
| BCB Services |
Publications 85 entries
- Breaking the Ceiling of Boron‐Boron Bonds: Understanding and Fine‐Tuning Basicity in Diborane(4) Complexes Article · 14 Sep 2026
- Electrodeficient Diborane (4) Converted into an Extraordinary Proton Sponge Article · 29 Jan 2026
- Diborane(4) as a powerful acid–base transformer Article · 6 Aug 2025
- Unveiling the Dual Nature of the Smallest Aqueous Ferrocene Complex Article · 7 Mar 2025
- NCI orbital decomposition and critical comparison to local correlation schemes Article · 2025
View all (80 more)
- Boron beats nitrogen: strained boron–boron bonds as (molecular) proton sponges Article · 2025
- Hydrogen Bonds Are Never of an “Anti-electrostatic” Nature: A Brief Tour of a Misleading Nomenclature Article · 18 Apr 2024
- A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides Article · 9 Nov 2023
- Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives Article · 27 Sep 2023
- Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides Article · 7 Jul 2023
- Reactivity of Cytosine with Alkylmercury Ions in the Gas Phase: The Critical Role of the Alkyl Chain Article · 3 Mar 2023
- On predicting bonding patterns of small clusters of alkaline-earth (Be, Mg) and triel (B, Al) fluorides: a balance between atomic size and electron-deficient character Article · 10 Jun 2022
- Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement Article · 16 May 2022
- Stand up for Electrostatics: The Disiloxane Case Article · 23 Mar 2022
- Malonaldehyde-like Systems: BeF2 Clusters—A Subtle Balance between Hydrogen Bonds, Beryllium Bonds, and Resonance Article · 13 Feb 2022
- A Theoretical Survey of the UV–Visible Spectra of Axially and Peripherally Substituted Boron Subphthalocyanines Article · 18 Jan 2022
- Thiol–yne chemistry of diferrocenylacetylene: from synthesis and electrochemistry to theoretical studies Article · 2022
- Open questions on toxic heavy metals Cd, Hg and Pb binding small components of DNA and nucleobases. Are there any predictable trends? Article · 2022
- Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives Article · 4 Jun 2021
- Significant bonding rearrangements triggered by Mg4 clusters Article · 25 Jan 2021
- Spontaneous bond dissociation cascades induced by Ben clusters (n = 2,4) Article · 2021
- The Importance of Strain (Preorganization) in Beryllium Bonds Article · 11 Dec 2020
- Looking for the Azeotrope: A Computational Study of (Ethanol)6–Water, (Methanol)6–Water, (Ethanol)7, and (Methanol)7 Heptamers Article · 4 Aug 2020
- Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight Article · 14 Jun 2020
- Are Anions of Cyclobutane Beryllium Derivatives Stabilized through Four-Center One-Electron Bonds? Article · 21 Jan 2020
- Steric clash in real space: biphenyl revisited Article · 2020
- Bonding between electron-deficient atoms: strong Lewis-acid character preserved in X–Y–X (X = B, Al; Y = Be, Mg) bridges Article · 2020
- Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes Article · 2 Dec 2019
- Ternary Complexes Stabilized by Chalcogen and Alkaline‐Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions Article · 12 Aug 2019
- Weak Interactions Get Strong: Synergy between Tetrel and Alkaline-Earth Bonds Article · 24 Jul 2019
- Gas-phase reactivity tuned through the interaction with alkaline-earth derivatives Article · 22 Apr 2019
- Alkylation of uracil and thymine in the gas phase through interaction with alkylmercury compounds Article · Feb 2019
- Modulating the intrinsic reactivity of molecules through non-covalent interactions Article · 2019
- Cations brought together by hydrogen bonds: the protonated pyridine–boronic acid dimer explained Article · 2019
- Complexes between H2 and neutral oxyacid beryllium derivatives. The role of angular strain Article · 16 Sep 2018
- Intramolecular magnesium bonds in malonaldehyde-like systems: a critical view of the resonance-assisted phenomena Article · 20 Jun 2018
- Protonation of methyluracils in the gas phase: The particular case of 3-methyluracil Article · Jun 2018
- Be‐ and Mg‐Based Electron and Anion Sponges Article · 23 Apr 2018
- Fostering the Basic Instinct of Boron in Boron–Beryllium Interactions Article · 14 Mar 2018
- Trapping One Electron between Three Beryllium Atoms: Very Strong One‐Electron Three‐Center Bonds Article · 23 Feb 2018
- Weak interactions and cooperativity effects on disiloxane: a look at the building block of silicones Article · 7 Feb 2018
- Remote modulation of singlet–triplet gaps in carbenes Article · Feb 2018
- Hydrogen-Bonding Acceptor Character of Be3, the Beryllium Three-Membered Ring Article · 26 Jan 2018
- Large Proton‐Affinity Enhancements Triggered by Noncovalent Interactions Article · 16 Jan 2018
- Complexes between neutral oxyacid beryllium salts and dihydrogen: a possible way for hydrogen storage? Article · 2018
- Binding indirect greenhouse gases OCS and CS2 by nitrogen heterocyclic carbenes (NHCs) Article · 2018
- Alkaline-earth (Be, Mg and Ca) bonds at the origin of huge acidity enhancements Article · 2018
- Are beryllium-containing biphenyl derivatives efficient anion sponges? Article · 18 Dec 2017
- Modulating the Proton Affinity of Silanol and Siloxane Derivatives by Tetrel Bonds Article · 7 Sep 2017
- Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as "Octet" 1,3-Dipoles Article · 21 Jul 2017
- Trapping CO2 by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study Article · 11 Jul 2017
- One-Electron Bonds in Frustrated Lewis Pair TPB Ligands: Boron Behaving as a Lewis Base Article · 10 May 2017
- Characterizing magnesium bonds: main features of a non-covalent interaction Article · 28 Feb 2017
- Formation of unexpected silicon- and disiloxane-bridged multiferrocenyl derivatives bearing Si-O-CHCH2and Si-(CH2)2C(CH3)3substituents via cleavage of tetrahydrofuran and trapping of its ring fragments Article · 2017
- Beryllium-based fluorenes as efficient anion sponges Article · 2017
- Beryllium subphthalocyanines self-assembling properties Article · Dec 2016
- Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors Article · 4 Oct 2016
- Boron-Boron One-Electron Sigma Bonds versus B-X-B Bridged Structures Article · 17 Aug 2016
- Photochemical Behavior of Beryllium Complexes with Subporphyrazines and Subphthalocyanines Article · 5 Feb 2016
- Gas‐Phase Infrared Spectroscopy of Substituted Cyanobutadiynes: Roles of the Bromine Atom and Methyl Group as Substituents Article · 28 Jan 2016
- Ferrocene and Silicon-Containing Oxathiacrown Macrocycles and Linear Oligo-Oxathioethers Obtained via Thiol-Ene Chemistry of a Redox-Active Bifunctional Vinyldisiloxane Article · 29 Sep 2015
- Intervalence charge transfer across noncovalent interactions on vinyl silyl bridged biferrocenyl compounds Article · Feb 2015
- Thermodynamic stability of PFOS: M06-2X and B3LYP comparison Article · Oct 2014
- Behavior of carboxylic acids upon complexation with beryllium compounds Article · 18 Jul 2014
- On the stability of [Pb(Proline)]2+ complexes. Reconciling theory with experiment Article · Apr 2014
- Spontaneous H2 loss through the interaction of squaric acid derivatives and BeH2 Article · 24 Mar 2014
- On the structures, lifetimes, and infrared spectra of alkylmercury hydrides Article · 17 Jan 2014
- Some interesting features of non-covalent interactions Article · 2014
- Mechanism of aziridination of styrene catalyzed by copper(I) bis(oxazoline) Article · 16 Mar 2013
- UV/Vis spectra of subporphyrazines and subphthalocyanines with aluminum and gallium: A time-dependent DFT study Article · 21 Feb 2013
- Alkyl mercury compounds: An assessment of DFT methods Article · 11 Jan 2013
- Mechanochemical and silica gel-mediated formation of highly electron-poor 1-cyanocarbonylferrocene Article · 2013
- Modulating weak intramolecular interactions through the formation of beryllium bonds: Complexes between squaric acid and BeH2 Article · 9 Oct 2012
- First-principles modelling of lithium iron oxides as battery cathode materials Article · Apr 2011
- Lithium diffusion pathways and vacancy formation in the Pmmn-Li 1-xFeO2 electrode material Article · 2011
- Thermodynamic stability of neutral and anionic PFOS: A gas-phase, n -octanol, and water theoretical study Article · 24 Aug 2010
- An alternative mechanism to explain the ruthenium(II)-catalyzed [2 + 2 + 2] cycloaddition of 1,6-diynes and tricarbonyl compounds Article · 17 Jul 2009
- Study of the ferrocene-lithium cation interaction by DFT calculations: an in-depth analysis of the existence of a planetary system Article · Mar 2009
- A density functional theory study of rhodium-catalyzed hetero-[5+2]- cycloaddition of cyclopropyl imine derivatives and alkynes Article · 30 Aug 2008
- Density functional theory study of ruthenium (II)-catalyzed [2+2+2] cycloaddition of 1,6-diynes with tricarbonyl compounds Article · 13 Aug 2008
- On the mechanism of rhodium-catalyzed [6+2] cycloaddition of 2-vinylcyclobutanones and alkenes Article · Jun 2008
- A theoretical study of pericyclic rearrangements catalyzed by lithium Article · 20 May 2008
- Theoretical study of the [2+2+2+1] cycloaddition mechanism of enediynes and carbon monoxide catalyzed by rhodium Article · 20 Feb 2008
- Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene Article · 2 Jun 2007
- Ab Initio and DFT Study of the Reaction Mechanism of Diformylketene with Formamide Article · 8 Sep 2004
