Fundamental Chemical Dynamics Under High or Ultra-high Vacuum

Welcome to the Chemical Dynamics Laboratory website. Our group is interested in exploring Chemical Dynamics under high or ultra-high vacuum conditions. Broadly, our group is working on:

I. Attochemistry

II. Nanoscale FemtoCatalysis

First 10 Femtoseconds after Ionization: Koopmans theorem becomes invalid under two circumstances: (1) orbital relaxation: following vertical ionization, if there is a change in the Hartree-Fock orbitals due to change of mean field; and (2) electron correlation: following ionization if Hartree-Fock wavefunction (single Slater determinant wave function) fails to represent the entire many-body wavefunction. Breakdown of Koopmans theorem gives birth to the Attosecond (1x10^-18 second) Chemistry (Attochemistry). Currently, we are investigating Attochemistry of molecular clusters.

For more information go through our representative article: J. Phys. Chem. A, 2016, 120, 10057-10071.

III. Femtochemistry of Energetic Molecules

First 200 Femtoseconds of High Energy Molecules: Laser ignition holds immense promise in fulfilling the demand of better propulsion systems for aerospace use and applications. One of the advanced laser ignition methods is via electronic excitation of injected fuel. Currently we are investigating initial steps of reaction initiated by laser ignition of high energy propellants and plasticizers.

For more information go through our representative article, Chem. Phys., 2017, 494, 78-89.

First 100 Picoseconds of Heterogeneous Catalysis: We are exploring initial steps of nanoscale heterogeneous catalytic reaction mechanisms and dynamics coupling femtosecond spectroscopy and surface science methodologies. Our current focus is on ultrafast catalytic oxidation of carbon monoxide, desorption of carbon monoxide and desorption of carbon dioxide on transition metal and metal oxide nanoparticle surfaces. These nanoparticles are supported by single crystal TiO2(110) and Al2O3(0001) surfaces.


For more information go through our representative articles: J. Phys. Chem. C, 2018, 122, 26039; ​J. Chem. Phys., 2017, 147, 044308 .

IV. Femtosecond X-ray Spectroscopy

See Chemistry with an Ultrafast X-ray Eye: X-ray light source provides several probing methods, including X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. Our group currently working on building these probes in time-domain to see chemistry (electron transfer, bond formation and bond breaking) to occur with an X-ray eye.

For more information go through our representative article: Phys. Chem. Chem. Phys., 2017, 19, 26679-26696.,

Support

Financial supports from the 12th Plan Grant of Indian Institute of Science, the Department of Atomic Energy (DAE), the Department of Science and Technology (DST) Nano Mission, the ISRO-IISc Space Technology Cell (STC), and the Science and Engineering Research Board (SERB) are gratefully acknowledged.

last updated on 27th August, 2022