Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

Ciavardini Alessandra; Coreno Marcello; Callegari Carlo; Spezzani Carlo; De Ninno Giovanni; Ressel Barbara; Grazioli Cesare; de Simone Monica; Kivimaki Antti; Miotti Paolo; Frassetto Fabio; Poletto Luca; Puglia Carla; Fornarini Simonetta; Pezzella Marco; Bodo Enrico; Piccirillo Susanna

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Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

机译：UV激发2-硝基苯酚的超快速VUV光电研究

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The initial deactivation pathways of gaseous 2-nitrophenol excited at 268 nm were investigated by time-resolved photoelectron spectroscopy (TRPES) with femtosecond-VUV light, produced by a monochromatized high harmonic generation source. TRPES allowed us to obtain new, valuable experimental information about the ultrafast excited-state dynamics of 2-nitrophenol in the gas phase. In accord with recent ab initio on-the-fly nonadiabatic molecular dynamic simulations, our results validate the occurrence of an ultrafast intersystem crossing leading to an intermediate state that decays on a subpicosecond time scale with a branched mechanisms. Two decay pathways are experimentally observed. One probably involves proton transfer, leading to the most stable triplet aci-form of 2-nitrophenol; the second pathway may involve OH rotation. We propose that following intersystem crossing, an ultrafast fragmentation channel leading to OH or HONO loss could also be operative.

机译：通过与飞秒-VuV光的时间分辨的光电子光谱（TRPE）研究了在268nm处激发的气态2-硝基苯酚的初始停用途径，由半核化-Vuv光产生，由单色化的高谐波产生源产生。 TRPES允许我们获得有关在气相中2-硝基苯酚的超快激发状态动态的新的，有价值的实验信息。根据最近的AB In In-Fly的非等离性分子动态模拟，我们的结果验证了超氮跨度交叉的发生，导致中间状态与分支机制衰减。通过实验观察两个衰变途径。一个可能涉及质子转移，导致最稳定的三重态组形式的2-硝基苯酚; 第二路径可能涉及OH旋转。我们提出，在交叉线性交叉之后，导致哦或隆隆损失的超快碎片渠道也可能是可操作的。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2019年第7期|共8页
作者
Ciavardini Alessandra; Coreno Marcello; Callegari Carlo; Spezzani Carlo; De Ninno Giovanni; Ressel Barbara; Grazioli Cesare; de Simone Monica; Kivimaki Antti; Miotti Paolo; Frassetto Fabio; Poletto Luca; Puglia Carla; Fornarini Simonetta; Pezzella Marco; Bodo Enrico; Piccirillo Susanna;
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作者单位

Univ Roma La Sapienza Dipartimento Chim &

Tecnol Farmaco Ple A Moro 5 I-00185 Rome Italy;

ISM CNR Basovizza Area Sci Pk I-34149 Trieste Italy;

Elettra Sincrotrone Trieste Ss 14 Km 163 5 I-34149 Trieste Italy;

Elettra Sincrotrone Trieste Ss 14 Km 163 5 I-34149 Trieste Italy;

Elettra Sincrotrone Trieste Ss 14 Km 163 5 I-34149 Trieste Italy;

Elettra Sincrotrone Trieste Ss 14 Km 163 5 I-34149 Trieste Italy;

IOM CNR Lab TASV Basovizza SS-14 Km 163-5 I-34012 Trieste Italy;

IOM CNR Lab TASV Basovizza SS-14 Km 163-5 I-34012 Trieste Italy;

IOM CNR Lab TASV Basovizza SS-14 Km 163-5 I-34012 Trieste Italy;

IFN CNR Padova Res Unit Via Trasea 7 I-35131 Padua Italy;

IFN CNR Padova Res Unit Via Trasea 7 I-35131 Padua Italy;

IFN CNR Padova Res Unit Via Trasea 7 I-35131 Padua Italy;

Uppsala Univ Dept Phys &

Astron SE-75120 Uppsala Sweden;

Univ Roma La Sapienza Dipartimento Chim &

Tecnol Farmaco Ple A Moro 5 I-00185 Rome Italy;

Univ Roma La Sapienza Dipartimento Chim Ple A Moro 5 I-00185 Rome Italy;

Univ Roma La Sapienza Dipartimento Chim Ple A Moro 5 I-00185 Rome Italy;

Univ Roma Tor Vergata Dipartimento Sci &

Tecnol Chim Via Ric Sci I-00133 Rome Italy;

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中图分类物理化学（理论化学）、化学物理学;
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专利

1. Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol [J] . Ciavardini Alessandra, Coreno Marcello, Callegari Carlo, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2019,第7期

机译：UV激发2-硝基苯酚的超快速VUV光电研究
2. Experimental time-resolved photoemission and ab initio GW+T study of lifetimes of excited electrons in ytterbium [J] . Marienfeld A, Cinchetti M, Bauer M, Journal of Physics. Condensed Matter . 2007,第49期

机译：time中激发电子寿命的实验时间分辨光发射和从头算GW + T研究
3. Experimental time-resolved photoemission and ab initio study of lifetimes of excited electrons in Mo and Rh [J] . A. Moennich, J. Lange, M. Bauer, Physical review. B, Condensed Matter And Materials Physics . 2006,第3期

机译：实验时间分辨的光发射和从头开始研究Mo和Rh中激发电子的寿命
4. Femtosecond photoemission study of excited state dynamics in organic photoreceptors [C] . Antti J. Makinen, Univ. of Rochester, Washington, Conference on ultrafast phenomena in semiconductors . 2000

机译：飞秒光发射研究有机光感受器的激发态动力学
5. Characterization of heterojunctions via x-ray and uv photoemission spectroscopy: energy level implications for single and mixed monolayer SAMs, cadmium selenide nanoparticle films, and organic semiconductor depositions. [D] . Graham, Amy L. 2010

机译：通过X射线和uv光发射光谱表征异质结：单层和混合单层SAM，硒化镉纳米颗粒薄膜和有机半导体沉积的能级影响。
6. Nonradiative Relaxation Mechanisms of UV Excited Phenylalanine Residues: A Comparative Computational Study [O] . Momir Mališ, Nađa Došlić 2017

机译：紫外线激发苯丙氨酸残基的非辐射弛豫机理：对比计算研究。
7. Experimental time-resolved photoemission and ab initio study of lifetimes of excited electrons in Mo and Rh [O] . Mönnich, A., Lange, J., Bauer, M., 2006

机译：实验时间分辨光电发射和从头算研究 mo和Rh中激发电子的寿命
8. UV Photoemission Studies of Metal Photocathodes for Particle Accelerators [R] . Fischer, J. , Srinivasan-Rao, T. 1988

机译：粒子加速器金属光电阴极的紫外光发射研究

Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

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