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Other IDs

ResearcherID: H-5798-2013
Scopus Author ID: 6701776326

Keywords

theoretical chemistry, computational chemistry, coordination chemistry

Countries

Italy

Biography

Professor of General and Inorganic Chemistry

Activities

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Employment (2)

Università degli Studi di Perugia: Perugia, Umbria, IT

2000-04-05 to present | Full Professor (Dipartimento di Chimica)
Employment
Source: Self-asserted source
Francesco Tarantelli

Università degli Studi di Perugia: Perugia, Umbria, IT

2014-01-01 to 2018-05-04 | Department Head (Dipartimento di Chimica, Biologia e Biotecnologie)
Employment
Source: Self-asserted source
Francesco Tarantelli

Works (50 of 218)

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Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions

Journal of Chemical Theory and Computation
2020-09-08 | Journal article
DOI: 10.1021/acs.jctc.0c00603
Contributors: Matteo De Santis; Leonardo Belpassi; Christoph R. Jacob; André Severo Pereira Gomes; Francesco Tarantelli; Lucas Visscher; Loriano Storchi
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Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds

Molecules
2020-05-20 | Journal article
DOI: 10.3390/molecules25102367
Contributors: Francesca Nunzi; Giacomo Pannacci; Francesco Tarantelli; Leonardo Belpassi; David Cappelletti; Stefano Falcinelli; Fernando Pirani
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BERTHA: Implementation of a four-component Dirac–Kohn–Sham relativistic framework

The Journal of Chemical Physics
2020-04-30 | Journal article
DOI: 10.1063/5.0002831
Contributors: Leonardo Belpassi; Matteo De Santis; Harry M. Quiney; Francesco Tarantelli; Loriano Storchi
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Crossref

PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python

Journal of Chemical Theory and Computation
2020-04-14 | Journal article
DOI: 10.1021/acs.jctc.0c00053
Contributors: Matteo De Santis; Loriano Storchi; Leonardo Belpassi; Harry M. Quiney; Francesco Tarantelli
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Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C9CP00300B
Contributors: Francesca Nunzi; Diego Cesario; Leonardo Belpassi; Francesco Tarantelli; Luiz F. Roncaratti; Stefano Falcinelli; David Cappelletti; Fernando Pirani
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The Halogen-Bond Nature in Noble Gas–Dihalogen Complexes from Scattering Experiments and Ab Initio Calculations

Molecules
2019-11-23 | Journal article
DOI: 10.3390/molecules24234274
Contributors: Francesca Nunzi; Benedetta Di Erasmo; Francesco Tarantelli; David Cappelletti; Fernando Pirani
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The Halogen-Bond Nature in Noble Gas-Dihalogen Complexes from Scattering Experiments and Ab-Initio Calculations

2019-11-10 | Other
DOI: 10.20944/preprints201911.0103.v1
Contributors: Francesca Nunzi; Benedetta Di Erasmo; Francesco Tarantelli; David Cappelletti; Fernando Pirani
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The Chemical Bond and s–d Hybridization in Coinage Metal(I) Cyanides

Inorganic Chemistry
2019-09-03 | Journal article
DOI: 10.1021/acs.inorgchem.9b01694
Contributors: Matteo De Santis; Sergio Rampino; Loriano Storchi; Leonardo Belpassi; Francesco Tarantelli
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Crossref

Chemical Bond Mechanism for Helium Revealed by Electronic Excitation

The Journal of Physical Chemistry A
2019-08-01 | Journal article
DOI: 10.1021/acs.jpca.9b05351
Contributors: Diego Cesario; Francesca Nunzi; Leonardo Belpassi; Fernando Pirani; Enrico Ronca; Francesco Tarantelli
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Crossref

Selective Emergence of the Halogen Bond in Ground and Excited States of Noble‐Gas–Chlorine Systems

Angewandte Chemie International Edition
2019-03-22 | Journal article
DOI: 10.1002/anie.201812889
Contributors: Fernando Pirani; David Cappelletti; Stefano Falcinelli; Diego Cesario; Francesca Nunzi; Leonardo Belpassi; Francesco Tarantelli
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Crossref

Selective Emergence of the Halogen Bond in Ground and Excited States of Noble‐Gas–Chlorine Systems

Angewandte Chemie
2019-03-22 | Journal article
DOI: 10.1002/ange.201812889
Contributors: Fernando Pirani; David Cappelletti; Stefano Falcinelli; Diego Cesario; Francesca Nunzi; Leonardo Belpassi; Francesco Tarantelli
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Crossref

Cooperative role of halogen and hydrogen bonding in the stabilization of water adducts with apolar molecules

New Journal of Chemistry
2018 | Journal article
DOI: 10.1039/C8NJ00552D
Contributors: Matteo De Santis; Francesca Nunzi; Diego Cesario; Leonardo Belpassi; Francesco Tarantelli; David Cappelletti; Fernando Pirani
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Crossref

Hydration and alkoxylation of alkynes catalyzed by NHC-Au-OTf

Green Chemistry
2018 | Journal article
DOI: 10.1039/c8gc00508g
WOSUID:

WOS:000432203600023
Contributors: Gatto, M.; Baratta, W.; Belanzoni, P.; Belpassi, L.; Del Zotto, A.; Tarantelli, F.; Zuccaccia, D.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
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Ligand Effect on Bonding in Gold(III) Carbonyl Complexes

Inorganic Chemistry
2018 | Journal article
DOI: 10.1021/acsinorgchem.8b00765
WOSUID:

WOS:000433013600048
Contributors: Sorbelli, D.; Belpassi, L.; Tarantelli, F.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium

Chemphyschem
2018 | Journal article
DOI: 10.1002/cphc.201800051
WOSUID:

WOS:000435639600009
Contributors: Nunzi, F.; Cesario, D.; Pirani, F.; Belpassi, L.; Tarantelli, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Relativistic quantum chemistry involving heavy atoms

Rendiconti Lincei-Scienze Fisiche E Naturali
2018 | Journal article
DOI: 10.1007/s12210-018-0706-7
WOSUID:

WOS:000434728500001
Contributors: De Santis, M.; Belapassi, L.; Tarantelli, F.; Storchi, L.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory

Chemistry-a European Journal
2018 | Journal article
DOI: 10.1002/chem.201804608
WOSUID:

WOS:000429703700001
Contributors: Gaggioli, C. A.; Belpassi, L.; Tarantelli, F.; Harvey, J. N.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Ligand Effect on Bonding in Gold(III) Carbonyl Complexes

Inorganic Chemistry
2018-05-21 | Journal article
DOI: 10.1021/acs.inorgchem.8b00765
Contributors: Diego Sorbelli; Leonardo Belpassi; Francesco Tarantelli; Paola Belanzoni
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Crossref

Frontispiece: Spin‐Forbidden Reactions: Adiabatic Transition States Using Spin–Orbit Coupled Density Functional Theory

Chemistry – A European Journal
2018-04-06 | Journal article
DOI: 10.1002/chem.201882061
Contributors: Carlo Alberto Gaggioli; Leonardo Belpassi; Francesco Tarantelli; Jeremy N. Harvey; Paola Belanzoni
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Crossref

Spin‐Forbidden Reactions: Adiabatic Transition States Using Spin–Orbit Coupled Density Functional Theory

Chemistry – A European Journal
2018-04-06 | Journal article
DOI: 10.1002/chem.201704608
Contributors: Carlo Alberto Gaggioli; Leonardo Belpassi; Francesco Tarantelli; Jeremy N. Harvey; Paola Belanzoni
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Crossref

C-13 NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe sigma Donation in Gold(I) Complexes

Chemistry-a European Journal
2017 | Journal article
DOI: 10.1002/chem.201605502
WOSUID:

WOS:000395773600030
Contributors: Marchione, D.; Izquierdo, M. A.; Bistoni, G.; Havenith, R. W. A.; Macchioni, A.; Zuccaccia, D.; Tarantelli, F.; Belpassi, L.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
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Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond

Journal of Physical Chemistry Letters
2017 | Journal article
DOI: 10.1021/acs.jpclett.7b01320
WOSUID:

WOS:000406358000028
Contributors: Nunzi, F.; Cesario, D.; Pirani, F.; Belpassi, L.; Frenking, G.; Grandinetti, F.; Tarantelli, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis

Chemistry-a European Journal
2017 | Journal article
DOI: 10.1002/chem.201700638
WOSUID:

WOS:000402648500024
Contributors: Gaggioli, C. A.; Bistoni, G.; Ciancaleoni, G.; Tarantelli, F.; Belpassi, L.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
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The gold(III)-CO bond: a missing piece in the gold carbonyl complex landscape

Chemical Communications
2017 | Journal article
DOI: 10.1039/c6cc09879g
WOSUID:

WOS:000395441400007
Contributors: Gaggioli, C. A.; Belpassi, L.; Tarantelli, F.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

The ligand effect on the oxidative addition of dioxygen to gold(I)-hydride complexes

Dalton Transactions
2017 | Journal article
DOI: 10.1039/c7dt02170d
WOSUID:

WOS:000410392800021
Contributors: Gaggioli, Carlo Alberto; Belpassi, Leonardo; Tarantelli, Francesco; Harvey, Jeremy N.; Belanzoni, Paola
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes

Organometallics
2017 | Journal article
DOI: 10.1021/acs.organomet.7b00377
WOSUID:

WOS:000404422400013
Contributors: D'Amore, L.; Ciancaleoni, G.; Belpassi, L.; Tarantelli, F.; Zuccaccia, D.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra

Applied Sciences
2017-07 | Journal article
DOI: 10.3390/app7070681
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Multidisciplinary Digital Publishing Institute
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Advances in Charge Displacement Analysis

Journal of Chemical Theory and Computation
2016 | Journal article
DOI: 10.1021/acs.jctc.5b01166
WOSUID:

WOS:000371852300030
Contributors: Bistoni, G.; Belpassi, L.; Tarantelli, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Cyclization of 2-Alkynyldimethylaniline on Gold(I) Cationic and Neutral Complexes

Organometallics
2016 | Journal article
DOI: 10.1021/acs.organomet.5b01030
WOSUID:

WOS:000370831400019
Contributors: Biasiolo, L.; Belpassi, L.; Gaggioli, C. A.; Macchioni, A.; Tarantelli, F.; Ciancaleoni, G.; Zuccaccia, D.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Dioxygen insertion into the gold(I)-hydride bond: spin orbit coupling effects in the spotlight for oxidative addition

Chemical Science
2016 | Journal article
DOI: 10.1039/c6sc02161a
WOSUID:

WOS:000391453200023
Contributors: Gaggioli, C. A.; Belpassi, L.; Tarantelli, F.; Zuccaccia, D.; Harvey, J. N.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
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Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes

Organometallics
2016 | Journal article
DOI: 10.1021/acs.organomet.6b00925
WOSUID:

WOS:000372210300005
Contributors: Trinchillo, M.; Belanzoni, P.; Belpassi, L.; Biasiolo, L.; Busico, V.; D'Arnora, A.; D'Amore, L.; Del Zotto, A.; Tarantelli, F.; Tuzi, A. et al.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

How pi back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes

Chemical Science
2016 | Journal article
DOI: 10.1039/c5sc02971f
WOSUID:

WOS:000368835300042
Contributors: Bistoni, G.; Rampino, S.; Scafuri, N.; Ciancaleoni, G.; Zuccaccia, D.; Belpassi, L.; Tarantelli, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Interaction of O-2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations

Journal of Physical Chemistry A
2016 | Journal article
DOI: 10.1021/acs.jpca.6b00948
WOSUID:

WOS:000379988900068
Contributors: Cappelletti, D.; Aquilanti, V.; Bartocci, A.; Nunzi, F.; Tarantelli, F.; Belpassi, L.; Pirani, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

pi Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis

Journal of Physical Chemistry A
2016 | Journal article
DOI: 10.1021/acs.jpca.6b01037
WOSUID:

WOS:000379988900072
Contributors: Bistoni, G.; Belanzoni, P.; Belpassi, L.; Tarantelli, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion

Acs Catalysis
2016 | Journal article
DOI: 10.1021/acscatal.6b01626
WOSUID:

WOS:000387306100012
Contributors: Gatto, M.; Belanzoni, P.; Belpassi, L.; Biasiolo, L.; Del Zotto, A.; Tarantelli, F.; Zuccaccia, D.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Strong Electron-Donating Ligands Accelerate the Protodeauration Step in Gold(I)-Catalyzed Reactions: A Quantitative Understanding of the Ligand Effect

Organometallics
2016 | Journal article
DOI: 10.1021/acs.organomet.6b00346
WOSUID:

WOS:000379704300013
Contributors: Gaggioli, C. A.; Ciancaleoni, G.; Zuccaccia, D.; Bistoni, G.; Belpassi, L.; Tarantelli, F.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Ultrafast Molecular Three-Electron Auger Decay

Physical Review Letters
2016 | Journal article
DOI: 10.1103/PhysRevLett.116.073001
WOSUID:

WOS:000370622000004
Contributors: Feifel, R.; Eland, J. H. D.; Squibb, R. J.; Mucke, M.; Zagorodskikh, S.; Linusson, P.; Tarantelli, F.; Kolorenc, P.; Averbukh, V.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

An ab initio electronic density study of the CH4-Ar, CH4-Xe, CH4-H2O and CH4-H2S complexes: insights into the nature of the intermolecular interaction

Molecular Physics
2015 | Journal article
DOI: 10.1080/00268976.2015.1100344
WOSUID:

WOS:000366589500010
Contributors: Bartocci, A.; Frati, F.; Roncaratti, L. F.; Cappelletti, D.; Tarantelli, F.; Belpassi, L.; Pirani, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Anomalous ligand effect in gold(i)-catalyzed intramolecular hydroamination of alkynes

Chemical communications (Cambridge, England)
2015 | Journal article
DOI:

10.1039/c5cc00894h

WOSUID:

MEDLINE:25738820
Contributors: Gaggioli, Carlo Alberto; Ciancaleoni, Gianluca; Biasiolo, Luca; Bistoni, Giovanni; Zuccaccia, Daniele; Belpassi, Leonardo; Belanzoni, Paola; Tarantelli, Francesco
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases

Journal of Chemical Physics
2015 | Journal article
DOI:

10.1063/1.4919692

WOSUID:

WOS:000354775800013
Contributors: Bartocci, A.; Belpassi, L.; Cappelletti, D.; Falcinelli, S.; Grandinetti, F.; Tarantelli, F.; Pirani, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
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Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry

Journal of Chemical Physics
2015 | Journal article
DOI: 10.1063/1.4908537
WOSUID:

WOS:000350548000013
Contributors: Bistoni, G.; Rampino, S.; Tarantelli, F.; Belpassi, L.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
grade
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Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry

Journal of Chemical Physics
2015 | Journal article
WOSUID:

CCC:000350548000013
Contributors: Bistoni, Giovanni; Rampino, Sergio; Tarantelli, Francesco; Belpassi, Leonardo
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment

Acs Catalysis
2015 | Journal article
DOI:

10.1021/cs501681f

WOSUID:

WOS:000349275300037
Contributors: Ciancaleoni, G.; Belpassi, L.; Zuccaccia, D.; Tarantelli, F.; Belanzoni, P.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Diffusion NMR measurements on cationic linear gold(I) complexes

Polyhedron
2015 | Journal article
DOI:

10.1016/j.poly.2015.03.007

WOSUID:

WOS:000355033800008
Contributors: Biasiolo, L.; Belpassi, L.; Ciancaleoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules

Chemistry-a European Journal
2015 | Journal article
DOI:

10.1002/chem.201406103

WOSUID:

WOS:000352508300033
Contributors: Cappelletti, D.; Bartocci, A.; Grandinetti, F.; Falcinelli, S.; Belpassi, L.; Tarantelli, F.; Pirani, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Quantitative assessment of the carbocation/carbene character of the gold-carbene bond

Dalton Transactions
2015 | Journal article
DOI: 10.1039/c5dt02183a
WOSUID:

WOS:000359089100025
Contributors: Azzopardi, K. M.; Bistoni, G.; Ciancaleoni, G.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene-gold catalysts

Catalysis Science & Technology
2015 | Journal article
WOSUID:

CCC:000350685400023
Contributors: Biasiolo, L.; Ciancaleoni, G.; Belpassi, L.; Bistoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Selectively Measuring pi Back-Donation in Gold(I) Complexes by NMR Spectroscopy

Chemistry-a European Journal
2015 | Journal article
DOI:

10.1002/chem.201406049

WOSUID:

WOS:000348510400025
Contributors: Ciancaleoni, G.; Biasiolo, L.; Bistoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Three-electron collective Auger decay in CH3F

Xxix International Conference on Photonic, Electronic, and Atomic Collisions
2015 | Book chapter
DOI: Unsp 112031 10.1088/1742-6596/635/11/112031
WOSUID:

WOS:000366407000614
Contributors: Kolorenc, P.; Averbukh, V.; Eland, J.; Feifel, R.; Tarantelli, F.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID

Tracing electron solvation in Li-(NH3)(n) clusters with K-shell photodetachment spectroscopy

Chemical Physics Letters
2015 | Journal article
DOI:

10.1016/j.cplett.2015.03.022

WOSUID:

WOS:000352810000016
Contributors: Kryzhevoi, N. V.; Tarantelli, F.; Cederbaum, L. S.
Source: Self-asserted source
Francesco Tarantelli via ResearcherID
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Peer review (2 reviews for 2 publications/grants)

Review activity for ACS catalysis. (1)
Review activity for Inorganic chemistry. (1)
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