Ambar Banerjee
Forskare vid Institutionen för fysik och astronomi; Röntgenfysik
- E-post:
- ambar.banerjee@physics.uu.se
- Besöksadress:
- Ångströmlaboratoriet, Regementsvägen 10
- Postadress:
- Box 516
751 37 UPPSALA
Forskare vid Institutionen för fysik och astronomi; Röntgenfysik; Kemisk och biomolekylär fysik
- E-post:
- ambar.banerjee@physics.uu.se
- Besöksadress:
- Ångströmlaboratoriet, Regementsvägen 10
- Postadress:
- Box 516
751 37 UPPSALA
- CV:
- Ladda ned CV
- ORCID:
- 0000-0001-6113-7033
Forskning
- Elucidation of excited state process and reaction dynamics in molecular systems. These include photochemistry and ultrafast dynamics in transition metal complexes and organic molecules which can unravel important aspects of fundamental photochemistry and photo-physics. Use of novel surface hopping excited state dynamics and MCTDH (based on LVC models) techniques to study ultra-fast dynamics in photo-physical processes.
- Simulation and understanding of X-Ray spectroscopic observables like from XAS / RIXS / XPS / XES experiments with the state-of-art electronic structure methods.
- Active member in various collaborations at different short pulse X-Ray facilities [LCLS (USA) & SwissFEL (Switzerland) X-Ray lasers and BESSY (Germany) SLS (Switzerland) & SSRL (USA) synchrotrons]
- Theoretical modeling of various time resolved spectroscopic techniques and predicting systems that can be studied using them.
- Application of state-of-the-art multi-reference quantum chemical techniques to novel chemical reaction pathways.
- Charting out chemical reaction mechanisms for ground state reactions which are often extremely useful to experimental organic and inorganic chemists.
- Benchmarking studies of different quantum chemical methods and developing benchmark data sets for calibrating newly developed theories.
- Spin forbidden reactions, and role of Spin-Orbit Coupling in them.
- Wavepacket dynamics
- Development of newer protocol to study core-level spectroscopies for larger systems including ones in condensed phase.
Publikationer
Senaste publikationer
Ingår i The Journal of Physical Chemistry Letters, s. 11830-11838, 2024
- DOI för Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
- Ladda ner fulltext (pdf) av Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
Ingår i Inorganic Chemistry, s. 10634-10647, 2024
- DOI för Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
- Ladda ner fulltext (pdf) av Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 5344-5355, 2024
Ingår i Chemistry - A European Journal, 2024
- DOI för Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
- Ladda ner fulltext (pdf) av Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
Ingår i Journal of the American Chemical Society, s. 14000-14011, 2024
- DOI för Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
- Ladda ner fulltext (pdf) av Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
Alla publikationer
Artiklar i tidskrift
Ingår i The Journal of Physical Chemistry Letters, s. 11830-11838, 2024
- DOI för Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
- Ladda ner fulltext (pdf) av Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
Ingår i Inorganic Chemistry, s. 10634-10647, 2024
- DOI för Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
- Ladda ner fulltext (pdf) av Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 5344-5355, 2024
Ingår i Chemistry - A European Journal, 2024
- DOI för Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
- Ladda ner fulltext (pdf) av Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
Ingår i Journal of the American Chemical Society, s. 14000-14011, 2024
- DOI för Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
- Ladda ner fulltext (pdf) av Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
Ingår i Chemical Science, s. 2398-2409, 2024
- DOI för Accessing metal-specific orbital interactions in C–H activation with resonant inelastic X-ray scattering
- Ladda ner fulltext (pdf) av Accessing metal-specific orbital interactions in C–H activation with resonant inelastic X-ray scattering
Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule
Ingår i Journal of the American Chemical Society, s. 21569-21575, 2023
- DOI för Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule
- Ladda ner fulltext (pdf) av Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule
Ingår i Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2023
- DOI för Simulating fluorine K-edge resonant inelastic x-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics
- Ladda ner fulltext (pdf) av Simulating fluorine K-edge resonant inelastic x-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics
Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character
Ingår i Inorganic Chemistry, s. 16854-16866, 2023
- DOI för Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character
- Ladda ner fulltext (pdf) av Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character
A Δ-learning strategy for interpretation of spectroscopic observables
Ingår i Structural Dynamics, 2023
- DOI för A Δ-learning strategy for interpretation of spectroscopic observables
- Ladda ner fulltext (pdf) av A Δ-learning strategy for interpretation of spectroscopic observables
Tracking C–H activation with orbital resolution
Ingår i Science, s. 955-960, 2023