当前位置:
X-MOL 学术
›
Russ. J. Inorg. Chem.
›
论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
In the Iron Tricarbonyl Mediated Electrocyclic Ring Opening of 3-Heterocyclobutenes—Does Iron or Heteroatom Decide the Pathway?
Russian Journal of Inorganic Chemistry ( IF 2.1 ) Pub Date : 2020-08-03 , DOI: 10.1134/s0036023620070165 C. Prathipa , L. Akilandeswari
中文翻译:
在三羰基铁的三羰基铁介导的电环开环中,铁或杂原子决定途径吗?
更新日期:2020-08-03
Russian Journal of Inorganic Chemistry ( IF 2.1 ) Pub Date : 2020-08-03 , DOI: 10.1134/s0036023620070165 C. Prathipa , L. Akilandeswari
Abstract
Effect of heteroatoms in manipulating irontricarbonyl assisted ring openings in heterosubstituted cyclobutenes (HCB) has been studied using DFT. Iron tricarbonyl facilitates the ring cleavage when X = O, S and Se but retards when X = NH, PH. Iron tripod promotes the Hin pathway to Hout in the oxa/thia/selena HCBs. The dominance of iron in bond cleavage is evident through the NLMO study. The case is not very simple in the aza and phospha analog, there are not only a poisoning behavior of iron tripod by enhancing the barrier but also competition prevailing between the catalyst and the hetero lone pairs to determine the torque/regio selective pathways.中文翻译:
在三羰基铁的三羰基铁介导的电环开环中,铁或杂原子决定途径吗?