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Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study.
Journal of Inorganic Biochemistry ( IF 3.9 ) Pub Date : 2020-05-07 , DOI: 10.1016/j.jinorgbio.2020.111071
Suzanne McMahon 1 , Ashwene Rajagopal 2 , Saeed Amirjalayer 3 , Yvonne Halpin 1 , Deirdre Fitzgerald-Hughes 4 , Wybren Jan Buma 5 , Sander Woutersen 5 , Conor Long 1 , Mary T Pryce 1
Affiliation  

Picosecond time-resolved infrared spectroscopy was used to probe the photo-induced early state dynamics preceding CO loss in the Fischer carbene complex, [(CO)5WC(NC4H8)CH3]. Time-dependent density functional theory calculations were employed to help in understanding the photochemical and photophysical processes leading to CO-loss. Electrochemical initiated CO release was quantified using gas chromatography. The potential of [(CO)5WC(NC4H8)CH3], as an antimicrobial agent under irradiation conditions was studied using a Staphylococcus aureus strain.

中文翻译:

氨基钨菲舍尔卡宾络合物[(CO)5WC(NC4H8)Me],皮秒时间分辨红外光谱,时间依赖性密度泛函理论和抗微生物研究中的光激活CO释放。

皮秒时间分辨红外光谱用于探测Fischer卡宾络合物[(CO)5WC(NC4H8)CH3]中CO损失之前的光诱导早期状态动力学。随时间变化的密度泛函理论计算被用来帮助理解导致CO损失的光化学和光物理过程。用气相色谱法定量电化学引发的CO释放。使用金黄色葡萄球菌菌株研究了在辐射条件下[(CO)5WC(NC4H8)CH3]作为抗菌剂的潜力。
更新日期:2020-05-07
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