Coherent ring-current migration of Mg-phthalocyanine probed by time-resolved X-ray circular dichroism,Chemical Science

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Coherent ring-current migration of Mg-phthalocyanine probed by time-resolved X-ray circular dichroism
Chemical Science ( IF 7.6 ) Pub Date : 2022-08-11 , DOI: 10.1039/d2sc02768b
Shichao Sun ₁ , Haiwang Yong ₁ , Feng Chen ₁ , Shaul Mukamel ₁

Affiliation

The coherent ring current of Mg-phthalocyanine created by a broad band UV-visible pump pulse shows variation with time, where the ring currents at the corner benzene rings, around the Mg cation and on the outer ring oscillate with different time periods and the current density migrates among these regions. The 7 pairs of E_u degenerate excited states populated upon photoexcitation, generate 21 distinct coherent ring currents. We further calculate the time-resolved X-ray circular dichroism (TRXCD) spectrum of the coherences contributing to the ring current obtained by an attosecond X-ray probe pulse resonant with the nitrogen K-edge. A frequency domain TRXCD signal obtained by a Fourier transform of the signal with respect to the pump-probe delay time clearly separates the currents induced by different state pairs.

中文翻译：

时间分辨 X 射线圆二色性探测镁酞菁的相干环电流迁移

由宽带紫外可见泵浦脉冲产生的镁酞菁的相干环电流随时间变化，其中苯环拐角处、镁阳离子周围和外环上的环电流随时间不同而振荡，电流随时间变化。密度在这些区域之间迁移。7对E _u光激发时填充的简并激发态，产生 21 个不同的相干环电流。我们进一步计算了时间分辨 X 射线圆二色性 (TRXCD) 光谱的相干性，该光谱有助于通过与氮 K 边共振的阿秒 X 射线探测脉冲获得的环电流。通过信号相对于泵浦-探针延迟时间的傅里叶变换获得的频域 TRXCD 信号清楚地分离了由不同状态对引起的电流。

更新日期：2022-08-11

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