Department of Chemistry, Temple University , Philadelphia, Pennsylvania 19122, United States.
J Phys Chem A. 2013 Dec 5;117(48):12796-801. doi: 10.1021/jp408073d. Epub 2013 Nov 20.
We study the ultrafast relaxation dynamics of uracil excited to the first bright ππ* state (S2) by an ultrafast laser pulse in the deep ultraviolet (central wavelength λ0 = 260 nm). With a unique combination of strong field dissociative ionization measurements, state of the art strong field ionization calculations, and high level ab initio calculations of excited neutral and ionic states at critical points along the neutral potentials, we are able to gain a detailed picture of the relaxation dynamics of the molecule, which resolves earlier disagreements regarding measurements and calculations of the relaxation.
我们研究了嘧啶在深紫外光(中心波长 λ0 = 260nm)超快激光脉冲激发到第一激发ππ*态(S2)后的超快弛豫动力学。通过强场离解电离测量、最先进的强场电离计算以及中性势能上关键点处激发中性和离子态的高精度从头计算的独特组合,我们能够详细了解分子的弛豫动力学,解决了之前关于弛豫测量和计算的分歧。