A theoretical view on FeO2+-mediated H-H bond activation.pdfVIP

Accepted Manuscript + A theoretical view on FeO2 -mediated H-H bond activation Xiao Xia Chen, Yu Bing Si, Bin Xie, Yong Cheng Wang PII: S0022-2860(17)30285-5 DOI: 10.1016/j.molstruc.2017.03.024 Reference: MOLSTR 23520 To appear in: Journal of Molecular Structure Received Date: 30 June 2016 Revised Date: 6 March 2017 Accepted Date: 6 March 2017 + Please cite this article as: X.X. Chen, Y.B. Si, B. Xie, Y.C. Wang, A theoretical view on FeO2 -mediated H-H bond activation, Journal of Molecular Structure (2017), doi: 10.1016/j.molstruc.2017.03.024. This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. ACCEPTED MANUSCRIPT A theoretical view on FeO2+-mediated H-H bond activation a b a c Xiao Xia Chen , Yu Bing Si , Bin Xie , Yong Cheng Wang (aCollege of Chemical and Environmental Engineering, Sichuan University of Science and Engineering Zigong, Sichuan, 643000, PR China bHenan Provincial Key-Laboratory of Nano-composite and Applications, Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou, Henan 450006, China cCollege of Chemistry and Chemical Engineering T Northwest Normal University, Lanzhou Gansu 730070, P R China) P