Slow electron velocity-map imaging (SEVI) of aniline has been investigated via two-color resonant-enhanced two-photo (1+1') ionization (2C-R2PI) method. A number of vibrational frequencies in the first excited state of neutral (S) and B ground electronic state of cation (D) have been accurately determined. In addition, photoelectron angular distributions (PADs) in the two-step transitions are presented and reveal a near threshold shape resonance in the ionization of aniline. The SEVI spectra taken via various S intermediate states provide the detailed vibrational structures of D state and directly deduce the accurate adiabatic ionization potential (IP) of 62,271±6cm. Ab initio calculations excellently reproduce the experimental IP value (Theo. 62,242cm). For most vibrational modes, good agreement between theoretical and experimental frequencies in the S and D states of aniline is obtained to aid us to clearly assign vibrational modes. Especially, the vibrational frequencies calculated at the CASSCF level are much better consistent with experimental data than that obtained using the TDDFT and CIS methods.
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http://dx.doi.org/10.1016/j.saa.2016.09.046 | DOI Listing |
Phys Chem Chem Phys
January 2025
Department of Chemistry, University of Missouri, Columbia, MO 65211, USA.
We present state-to-state differential cross sections for rotationally inelastic collisions of vibrationally excited NO XΠ ( = 9) with Ar using a near-counterpropagating molecular beam geometry. These were obtained using the stimulated emission pumping technique coupled with velocity map imaging. Collision energies well over ∼1 eV were achieved and rotational excitations up to ∼Δ = 60 recorded for the first time for inelastic collisions.
View Article and Find Full Text PDFJ Phys Chem A
December 2024
Department of Chemistry, KAIST, Daejeon 34141, Republic of Korea.
A photodetachment and photoelectron spectroscopic study by employing a cryogenically cooled ion trap combined with a velocity-map imaging setup has been carried out to unravel the vibrational structures and autodetachment dynamics of the dipole-bound states (DBSs) of -, -, and -methylphenolate anions (-, -, and -CHPhO). The electron binding energy of the DBS increases monotonically with the increase of the neutral dipole moment to give respective values of 66 ± 15, 123 ± 18, or 154 ± 14 cm for the -, -, or -isomer. The different electron-donating effects of the methyl moieties in the three geometrically different isomers seem to be reflected in the experiment.
View Article and Find Full Text PDFMed Phys
December 2024
Department of Electronics and Electrical Engineering, Indian Institute of Technology Guwahati, Assam, India.
Background: Measurement noise often leads to inaccurate shear wave phase velocity estimation in ultrasound shear wave elastography. Filtering techniques are commonly used for denoising the shear wavefields. However, these filters are often not sufficient, especially in fatty tissues where the signal-to-noise ratio (SNR) can be very low.
View Article and Find Full Text PDFJ Phys Chem A
December 2024
School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou 434023, China.
We obtained the photoelectron spectra of Rh(CN) using the negative ion photoelectron velocity-map imaging (NI-PEVMI) technique and revealed the photodesorption process of Rh(CN). The vertical detachment energy (VDE) and adiabatic detachment energy (ADE) of Rh(CN) have both been experimentally reported to be 2.04 (3) eV.
View Article and Find Full Text PDFJ Phys Chem A
December 2024
School of Geographical Sciences, Shanxi Normal University, No. 339, Taiyu Road, Taiyuan, Shanxi 030031, People's Republic of China.
The conjugate-pair molecules of CO and CPt provide a prototype of the autogenic isolobal relationship between the O and Pt atoms that can rationalize the structure and reactivity trends of platinum carbides. Herein, the photoelectron detachment at 532 nm has been recorded for the gas-phase CPt by using the photoelectron velocity-map imaging spectroscopy. The vibrationally resolved ground-state transition reveals a wealth of information concerning the electronic ground states of CPt.
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