Preprint Article Version 2 Preserved in Portico This version is not peer-reviewed

Novel Insights into the Configurations of Lead(II)-Benzohydroxamic Acid Coordination Compounds in Aqueous Solution: A Combined Experimental and Computational Study

Jianyong He
ORCID logo ,
Haisheng Han
,
Chenyang Zhang
* ,
Yuehua Hu
,
Dandan Yuan
,
Mengjie Tian
,
Daixiong Chen
* ,
Wei Sun
*
Version 1 : Received: 6 June 2018 / Approved: 7 June 2018 / Online: 7 June 2018 (10:42:59 CEST)
Version 2 : Received: 22 July 2018 / Approved: 25 July 2018 / Online: 25 July 2018 (05:29:34 CEST)

A peer-reviewed article of this Preprint also exists.

He, J.; Han, H.; Zhang, C.; Hu, Y.; Yuan, D.; Tian, M.; Chen, D.; Sun, W. New Insights into the Configurations of Lead(II)-Benzohydroxamic Acid Coordination Compounds in Aqueous Solution: A Combined Experimental and Computational Study. Minerals 2018, 8, 368. He, J.; Han, H.; Zhang, C.; Hu, Y.; Yuan, D.; Tian, M.; Chen, D.; Sun, W. New Insights into the Configurations of Lead(II)-Benzohydroxamic Acid Coordination Compounds in Aqueous Solution: A Combined Experimental and Computational Study. Minerals 2018, 8, 368.

Abstract

Novel collector lead(II)-benzohydroxamic acid (Pb(II)-BHA) complexes in aqueous solution were characterized by using experimental approaches, including Ultraviolet-visible (UV-Vis) spectroscopy and electrospray ionization–mass spectrometry (ESI-MS), as well as first-principle density functional theory (DFT) calculations with consideration for solvation effects. The Job plot delineated that a single coordinated Pb(BHA)+ should be formed first, and the higher coordination number complexes can be formed subsequently. Moreover, the Pb(II)-BHA species can aggregate with each other to form complicated structures, such as Pb(BHA)2 or highly complicated complexes. ESI-MS results validated the existence of Pb-(BHA)n=1,2 under different solution pH values. Further, the first-principles calculations suggested that Pb(BHA)+ should be the most stable structure, and the Pb atom in Pb(BHA)+ will act as an active site to attack nucleophiles. These findings are meaningful to further illustrate the adsorption mechanism of Pb(II)-BHA complexes in mineral processing.

Keywords

Pb(II)-BHA; lead chemistry; metal-organic collectors; DFT calculation; surface activation

Subject

Chemistry and Materials Science, Inorganic and Nuclear Chemistry

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Download PDF

Comments (0)

We encourage comments and feedback from a broad range of readers. See criteria for comments and our Diversity statement.

Leave a public comment
Send a private comment to the author(s)
* All users must log in before leaving a comment
Views 0
Downloads 0
Comments 0
Metrics 0
Get PDF Cite Share 0
Bookmark BibSonomy Mendeley Reddit Delicious
×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.
We use cookies on our website to ensure you get the best experience.
Read more about our cookies here.