Fragmentation dynamics of tetrachloromethane molecule induced by highly charged Ar-ion impact.

The ion impact multiple ionization and subsequent dissociation of CCl is studied using a beam of Ar ion having the energy of about 1 MeV in a linear time- of-flight mass spectrometer, coupled with a position-sensitive detector. The complete, as well as incomplete Coulomb explosion pathways, for CCl and CCl ions are identified and studied. The kinetic energy release distributions of channels, kinetic energies, and momentum distributions of fragmented ions, as well as neutrals, are also calculated.

Simultaneous observations of electromagnetically induced transparency (EIT) and absorption (EIA) in a multi-level V-type system of Rb and theoretical simulation of the observed spectra using a multi-mode approach.

We report here simultaneous experimental observation of Electromagnetically Induced Transparency (EIT) and Electromagnetically Induced Absorption (EIA) in a multi-level V-type system in D transition of Rb87, i.e., F=2→F with a strong pump and a weak probe beam.

Imaging molecular structure through femtosecond photoelectron diffraction on aligned and oriented gas-phase molecules.

This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray free-electron laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C(8)H(5)F) and dissociating, laser-aligned 1,4-dibromobenzene (C(6)H(4)Br(2)) molecules and discuss them in the larger context of photoelectron diffraction on gas-phase molecules. We also show how the strong nanosecond laser pulse used for adiabatically laser-aligning the molecules influences the measured electron and ion spectra and angular distributions, and discuss how this may affect the outcome of future time-resolved photoelectron diffraction experiments.

Excited state intramolecular proton transfer in 3-hydroxy flavone and 5-hydroxy flavone: a DFT based comparative study.

Potential energy (PE) curves for the intramolecular proton transfer in the ground (GSIPT) and excited (ESIPT) states of 3-hydroxy-flavone (3HF) and 5-hydroxy-flavone (5HF) were studied using DFT/B3LYP (6-31G (d,p)) and TD-DFT/B3LYP (6-31G (d,p)) level of theory respectively. Our calculations suggest the non-viability of ground state intramolecular proton transfer for both the compounds. Calculated PE curves of 3HF for the ground and excited singlet states proton transfer process explain its four state laser diagram.

DFT based computational study on the excited state intramolecular proton transfer processes in o-hydroxybenzaldehyde.

Potential energy (PE) curves for the intramolecular proton transfer in the ground (GSIPT) and excited (ESIPT) states of o-hydroxybenzaldehyde (OHBA) were studied using DFT-B3LYP/6-31G(d) and TD-DFT-B3LYP/6-31G(d) level of theory, respectively. Our calculations suggest the non-viability of ground state intramolecular proton transfer in this compound. Excited states PE calculations support the ESIPT process in OHBA.

Butterfly structure: signature of vibrational flopping in dissociative acetylene.

We report experimental evidence for molecular deformation due to a vibrationally active transition state of multiply charged acetylene molecules under the impact of low energy Ar8+ projectiles. "Butterflylike" structures are observed in the experimental coincidence spectra between hydrogen and carbon ionic fragments. Such structures can be generated by numerical simulations and are found to originate from the bending motion of the dissociating molecule.

Formation of H3+ due to intramolecular bond rearrangement in doubly charged methanol.

We report the formation of H3+ by proton coagulation in methanol under the impact of low energy Ar(8+) projectiles. Our time-of-flight coincidence measurements with CH3OD establish that the H3+ formation arises from intramolecular bond rearrangement of the methyl group. We have performed ab initio quantum chemical calculations that show the preferred pathway for C-H3 bond cleavage.