horiuti-polanyi机理 Horiuti-Polanyi机制是化学动力学领域的一个术语，用于描述氢原子与烯烃等不饱和分子反应的机制。该机制由日本化学家RyōHoriuti和匈牙利-加拿大物理化学家MichaelPolanyi在20世纪30年代提出。在Horiuti-Polanyi机制中，反应通过一系列步骤进行，包括：1氢原子和不饱和分子之间复合物的形成2将氢原子从复合...
Horiuti-Polanyi机理水的形成过渡金属密度泛函理论在非均相催化加氢反应中, 氢气(H2)一直被公认为是通过两步基元步骤参加还原反应的, 包括第一步的分子解离和之后的反应物与原子氢键合, 即所谓的Horiuti-Polanyi (HP)机理. 直到我们研究组在Ag或Au催化丙烯醛加氢还原反应理论研究中发现非HP机理加氢路径存在时, 新的...
经历H2先断键再加氢的两步模型Horiuti-Polanyi机理被长期公认是非均相催化催化加氢过程的唯一机理.基于第一性原理计算,我们在对金催化剂表面不饱和醛酮加氢研究中发现不经历H2断键直接催化加氢的非Horiuti-Polanyi机理存在.我们进一步对于不同结构过渡金属表面不同分子基团的加氢机理开展了系统的计算模拟,证实了非均相催化...
Mech Horiuti-Polanyi Pt surface alkene isomerizationZaera, F
Čelkova, and S. Schmidt, "A simplified Horiuti-Polanyi scheme for the hydrogenation of triacylglycerols," J. Am. Oil Chem. Soc., vol. 68, no. 2, pp. 74-78, 1991.Simon, P.; Celkova, A.; Schmidt, S. A Simplified Horiuti-Polanyi Scheme for the Hydrogenation of Triacylglycerols. ...
It is generally acknowledged in heterogeneous catalysis that hydrogenation follows the so-called Horiuti-Polanyi (HP) mechanism. In this work, a thorough investigation of the mechanism of hydrogenation of hydroxyl groups and O catalyzed by a series of transition metals was carried out through density...
The links between catalytic and electrocatalytic hydrogenation processes are analyzed starting from the fundamental principles outlined in almost all works by Horiuti and Polanyi 70 years ago. It has been shown that the mechanistic picture based on the role of protontransfer step in processes taking...