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.

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

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

Identifier

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

Checksum

e769c0b896ecb3c71a8b37b1b712b6b3

Additional Files

README.txt (2 kB)
MD5: 77b4010cf018f0103f9e916fd67cd267

Chemical_bonding_of_{[CuGe9Mes]}2-.zip (19939 kB)
MD5: 5b44e7b77d0535ae97509efa3385028d

Chemical_bonding_of_{[CuGe9Mes]2}4-.zip (74833 kB)
MD5: 7d9299b8d9f0352d0452bba99f2cbef1

Suplementary_Information.pdf (2106 kB)
MD5: c15ccb8a6218bda3f73bc5bb742f96b3

Included in

Chemistry Commons

Share

 
COinS