Data from: All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe9Mes]2}4−

Creators

Alexander I. Boldyrev, Utah State UniversityFollow
Nikolay Tkachenko, Utah State UniversityFollow

Description

In this work, we report a dimeric cluster anion, {[CuGe9Mes]2}4−, which was isolated as the [K(2,2,2-crypt)]+ salt and characterized by using single-crystal X-ray diffraction and ESI mass spectroscopy. The title cluster represents the first locally σ-antiaromatic compound in the solid state, as well as the first heteroatomic antiaromatic compound.

Author ORCID Identifier

Alexander I. Boldyrev https://orcid.org/0000-0002-8277-3669

Nikolay Tkachenko https://orcid.org/0000-0002-7296-4293

OCLC

1259517023

Document Type

Dataset

DCMI Type

Dataset

File Format

.zip, .txt, .in, .log, .out, .data, pdf

Viewing Instructions

Files will need to be unzipped.

Publication Date

6-15-2021

Funder

NSF, Division of Chemistry (CHE)

Publisher

Utah State University

Award Number

NSF, Division of Chemistry (CHE) 1664379

Award Title

Deciphering Delocalized Bonding in Excited States, Solvated Species and Novel 0-, 1-, 2-, and 3-Dimensional Chemical Systems

Methodology

See the README.txt file.

Referenced by

Wang, Z.-C., Tkachenko, N. V., Qiao, L., Matito, E., Muñoz-Castro, A., Boldyrev, A. I., & Sun, Z.-M. (2020). All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe 9 Mes] 2 } 4−. Chemical Communications, 56(48), 6583–6586. https://doi.org/10.1039/D0CC02525A

Language

eng

Code Lists

N/A

Comments

Total 26 data files included< zipped into their original directories. Chemical bonding analysis files, optimization files, Supplementary Information file.

Disciplines

Chemistry

License

This work is licensed under a Creative Commons Attribution 4.0 License.

Identifier

https://doi.org/10.26078/e4ff-9q79

Recommended Citation

Boldyrev, A. I., & Tkachenko, N. (2021). Data from: All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe9Mes]2}4−. Utah State University. https://doi.org/10.26078/E4FF-9Q79

Checksum

e769c0b896ecb3c71a8b37b1b712b6b3