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1.
J Phys Chem A ; 126(22): 3543-3548, 2022 Jun 09.
Artículo en Inglés | MEDLINE | ID: mdl-35619587

RESUMEN

Dissociative electron attachments via the lowest shape resonant state 2Πu of CO2-, e- + CO2 → O- + CO, are investigated with our high-resolution anion velocity map imaging apparatus. The production efficiency curve of O- obtained in this work is consistent with those reported previously. The forward-backward asymmetric distribution superimposed on the isotopic background is observed in the time-sliced velocity image of O- yield, implying that the dissociation of CO2-(2Πu) proceeds through a combinational motion of bond stretching and bending. Thereby, the coproduct CO is proposed to be in the rovibrational states. The long-standing arguments about the dissociation dynamics of CO2-(2Πu) are settled.

2.
J Phys Chem A ; 118(50): 11780-6, 2014 Dec 18.
Artículo en Inglés | MEDLINE | ID: mdl-25423196

RESUMEN

The binding energy spectra and electron momentum distributions for the outer-valence molecular orbitals of oxetane have been measured utilizing (e, 2e) electron momentum spectrometer with non-coplanar asymmetric geometry at the impact energy of 2500 eV. The experimental momentum distributions were compared with the density functional theory calculations employing B3LYP hybrid functional with aug-cc-pVTZ basis set. It was found that the calculation at planar geometry (C2v) completely fails to interpret the large "turn-up" at low momentum region in electron momentum distribution of the highest occupied molecular orbital (HOMO) 3b1, while the calculations considering the thermal abundances of planar (C2v) and bent (Cs) conformers or the thermally populated vibrational states of ring-puckering motion have significantly improved the agreement. The results indicate that the ring-puckering motion of oxetane has a strong effect on the electron density distribution of HOMO.

3.
Appl Opt ; 47(8): 1135-40, 2008 Mar 10.
Artículo en Inglés | MEDLINE | ID: mdl-18327287

RESUMEN

An analytical expression for calculating the position of the reflection-peak wavelength of a chirped sampled fiber Bragg grating (C-SFBG) is obtained for what is believed to be the first time. Using Fourier theory, the chirped sampling function of the C-SFBG is expanded, and an equivalent local Bragg period is then obtained to derive the expression of the peak wavelength. The calculated results based on the expression are in excellent agreement with the numerical reflection spectra obtained by the conventional transfer-matrix method.

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