Non-classical effects in proton or hydrogen transfer

被引:1
|
作者
Waluk, Jacek [1 ,2 ]
机构
[1] Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland
[2] Cardinal Stefan Wyszynski Univ, Fac Math & Sci, Dewajtis 5, PL-01815 Warsaw, Poland
关键词
Photochemistry XXVI; reaction mechanisms; single molecules; tautomerism; tunneling; SINGLE-MOLECULE; PHOTOINDUCED TAUTOMERIZATION; SUPERSONIC JET; PORPHYCENES; 2-(2'-PYRIDYL)PYRROLE; PHOTOPHYSICS;
D O I
10.1515/pac-2016-0706
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Results of thorough investigations of tautomerism in the ground and excited electronic states performed for various organic molecules under different regimes: condensed phases, isolated and single molecules, with a special emphasis on porphycene, a porphyrin isomer, demonstrate that, in order to precisely describe the proton/hydrogen transfer path, one has to explicitly consider tunneling. Tautomerization is a multidimensional process, controlled by excitation of specific vibrational modes. Vibrational excitation can both enhance or hinder the reaction. The role of specific vibrational modes can now be assessed, even at the level of single molecules.
引用
收藏
页码:1063 / 1071
页数:9
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