Dipartimento di Ingegneria dell'Informazione, Elettronica e Telecomunicazioni, Universita' di Roma La Sapienza, Roma, Italia.
J Phys Chem B. 2011 Jun 30;115(25):8102-11. doi: 10.1021/jp2018567. Epub 2011 Jun 7.
The effect of a zwitterionic micelle environment on the efficiency of the keto-enol interconversion of 2-phenylacetylthiophene has been investigated by means of a joint application of experimental and theoretical/computational approaches. Results have revealed a reduction of the reaction rate constant if compared with bulk water essentially because of the different solvation conditions experienced by the reactant species, including water molecules, in the micelle environment. The slight inhibiting effect due to the application of a static electric field has also been theoretically investigated and presented.
通过实验和理论/计算方法的联合应用，研究了两性离子胶束环境对 2-苯乙酰噻吩的酮-烯醇互变异构效率的影响。结果表明，与在本体水中的反应速率常数相比，反应速率常数显著降低，这主要是由于反应物在胶束环境中经历了不同的溶剂化条件，包括水分子。还从理论上研究并提出了由于施加静电场而产生的轻微抑制效应。
