Spectroscopic signatures of the S0, S1, and D0 states of indan: An experimental and theoretical investigation

IF 4.1 3区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2024-11-23 DOI:10.1016/j.jphotochem.2024.116175

Zefeng Hua , Jinhui Deng , Zhongfa Sun, Xinyan Yang, Zhengbo Qin, Xianfeng Zheng

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Abstract

The electronic and vibrational spectra of indan were explored through the utilization of Fourier transform infrared (FT-IR) spectrum, one-color resonant two-photon ionization (1C-R2PI) spectrum, and two-color resonant two-photon ionization (2C-R2PI) slow electron velocity-map imaging (SEVI) techniques in combination with quantum chemical calculations. Experimental spectra are found to be in good overall accordance with the theoretical calculations. The vibrational modes of the S₀ neutral ground state, S₁ first electronic excited state, and D₀ cationic ground state were assigned with the assistance of density functional theory (DFT) calculations. The S₁ ← S₀ electronic transition energy was determined to be 36909 ± 5 cm⁻¹ from the one-color resonant two-photon ionization spectrum. Moreover, the adiabatic ionization energy was deduced as 68419 ± 6 cm⁻¹ based on the SEVI spectra.

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来源期刊

Journal of Photochemistry and Photobiology A-chemistry 化学-物理化学

CiteScore

7.90

自引率

7.00%

发文量

580

审稿时长

48 days

期刊介绍： JPPA publishes the results of fundamental studies on all aspects of chemical phenomena induced by interactions between light and molecules/matter of all kinds. All systems capable of being described at the molecular or integrated multimolecular level are appropriate for the journal. This includes all molecular chemical species as well as biomolecular, supramolecular, polymer and other macromolecular systems, as well as solid state photochemistry. In addition, the journal publishes studies of semiconductor and other photoactive organic and inorganic materials, photocatalysis (organic, inorganic, supramolecular and superconductor). The scope includes condensed and gas phase photochemistry, as well as synchrotron radiation chemistry. A broad range of processes and techniques in photochemistry are covered such as light induced energy, electron and proton transfer; nonlinear photochemical behavior; mechanistic investigation of photochemical reactions and identification of the products of photochemical reactions; quantum yield determinations and measurements of rate constants for primary and secondary photochemical processes; steady-state and time-resolved emission, ultrafast spectroscopic methods, single molecule spectroscopy, time resolved X-ray diffraction, luminescence microscopy, and scattering spectroscopy applied to photochemistry. Papers in emerging and applied areas such as luminescent sensors, electroluminescence, solar energy conversion, atmospheric photochemistry, environmental remediation, and related photocatalytic chemistry are also welcome.