Issue 116, 2016

Experimental and theoretical evaluation of structures of Pr2@C72 and its functionalized adduct with adamantylidene carbene

Abstract

In this study, we prepared and isolated the pristine endohedral dimetallofullerene Pr2@C72, whose structure was determined to be Pr2@D2(10611)-C72 by a combination of mass spectrometry, UV-visible-near-infrared absorption spectroscopy, and quantum mechanics characterization. Furthermore, we explored the reactivity of Pr2@D2(10611)-C72 using its functionalization by 2-adamantane-2,3-[3H]-diazirine, and the resulting adducts were identified by mass spectrometry and high performance liquid chromatography. Additionally, the preferred addition positions and isomeric structures of the dominant mono-adduct Pr2@C72(Ad) were further investigated using density functional theory.

Graphical abstract: Experimental and theoretical evaluation of structures of Pr2@C72 and its functionalized adduct with adamantylidene carbene

Supplementary files

Article information

Article type
Paper
Submitted
18 Sep 2016
Accepted
05 Dec 2016
First published
05 Dec 2016

RSC Adv., 2016,6, 115113-115119

Experimental and theoretical evaluation of structures of Pr2@C72 and its functionalized adduct with adamantylidene carbene

Y. Zhao, H. Yu and Y. Lian, RSC Adv., 2016, 6, 115113 DOI: 10.1039/C6RA23224H

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