Description

Sandwich-type clusters with the planar fragment containing a heterometallic sheet have remained elusive. In this work, we introduce the [K(2,2,2-crypt)]4{(Ge9)2[η6-Ge(PdPPh3)3]} complex that contains a heterometallic sandwich fragment. The title compound is structurally characterized by means of single-crystal X-ray diffraction, which reveals the presence of an unusual heteroatomic metal planar fragment Ge@Pd3. The planar fragment contains a rare formal zerovalent germanium core and a peculiar bonding mode of sp2-Ge@(PdPPh3)3 trigonal planar structure, whereas the nonagermanide fragments act as capping ligands. The chemical bonding pattern of the planar fragment consists of three 2c-2e Pd-Ge σ-bonds attaching Pd atoms to the core Ge atom, while the binding between the planar fragment and the aromatic Ge9 ligands is provided by six 2c-2e Pd-Ge σ-bonds and two delocalized 4c-2e σ-bonds. The synthesized cluster represents a rare example of a sandwich compound with the heteroatomic metal planar fragment and inorganic aromatic capping ligands.

OCLC

1259528245

Document Type

Dataset

DCMI Type

Dataset

File Format

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

Viewing Instructions

Files will need to be unzipped.

Publication Date

6-17-2021

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

Xu, H.-L., Tkachenko, N. V., Wang, Z.-C., Chen, W.-X., Qiao, L., Muñoz-Castro, A., Boldyrev, A. I., & Sun, Z.-M. (2020). A sandwich-type cluster containing Ge@Pd3 planar fragment flanked by aromatic nonagermanide caps. Nature Communications, 11(1), 5286. https://doi.org/10.1038/s41467-020-19079-z

Language

eng

Code Lists

N/A

Comments

Total of 15 data files included, zipped into their original directories. Chemical bonding analysis files, Supplementary Information file, Supplementary Dataset 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/btrt-1r07

Checksum

13395a66920841f71cc818de84eea2a3

Additional Files

README.txt (2 kB)
MD5: 7879ed511b2f3c6639182836dedb4fcb

Chemical_bonding_of_{(Ge9)2[Ge(PdPPh3)3]}4-.zip (34471 kB)
MD5: 59be110a28a90c9e424c9e52faed1f5b

Supplementary_Dataset_1.xlsx (274 kB)
MD5: a2b711069e14f1273738617cf4efc13e

Description_of_supplementary_dataset.pdf (43 kB)
MD5: ba303a90fb29f77403d227e81268a1e0

Supplementary_Information.pdf (9277 kB)
MD5: 9023305e14b0e78ca27393d605d528c0

Included in

Chemistry Commons

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