Email RIS file
Bookmark
Report an Issue

Bond-bending isomerism of Au<sub>2</sub>I<sub>3</sub><sup>-</sup> [electronic resource] : Competition between covalent bonding and aurophilicity

Published
Washington, D.C. : United States. Dept. of Energy, 2015.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
pages 475-481 : digital, PDF file
Additional Creators
Los Alamos National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
Access Online

Availability

I Want It
I Want It

Finding items...

Restrictions on Access
Free-to-read Unrestricted online access
Summary
We report a joint photoelectron spectroscopy and theoretical investigation of the gaseous Au2I3– cluster, which is found to exhibit two types of isomers due to competition between Au–I covalent bonding and Au–Au aurophilic interactions. The covalent bonding favors a bent IAuIAuI– structure with an obtuse Au–I–Au angle (100.7°), while aurophilic interactions pull the two Au atoms much closer, leading to an acutely bent structure (72.0°) with an Au–Au distance of 3.08 Å. The two isomers are separated by a small barrier and are nearly degenerate with the obtuse isomer being slightly more stable. At low temperature, only the obtuse isomer is observed; distinct experimental evidence is observed for the co-existence of a combination of isomers with both acute and obtuse bending angles at room temperature. As a result, the two bond-bending isomers of Au2I3– reveal a unique example of one molecule being able to oscillate between different structures as a result of two competing chemical forces.
Report Numbers
E 1.99:la-ur--15-21694
la-ur--15-21694
Subject(s)
Other Subject(s)
Note
Published through SciTech Connect.
10/13/2015.
"la-ur--15-21694"
Chemical Science 7 1 ISSN 2041-6520; CSHCBM AM
Wan -Lu Li; Hong -Tao Liu; Tian Jian; Gary V. Lopez; Zachary A. Piazza; Dao -Ling Huang; Teng -Teng Chen; Jing Su; Ping Yang; Xin Chen; Lai -Sheng Wang; Jun Li.
Funding Information
1263745
21433005, 21201106, and 21221062
AC52-06NA25396
View MARC record | catkey: 24046532