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Formation of stable ionized complexes between coinage metal containing superhalogens and moderately reactive molecules: a DFT approach

Crossref DOI link: https://doi.org/10.1007/s11224-019-1278-6

Published Online: 2019-01-12

Published Print: 2019-08

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Sarkar, Subhendu

Ash, Tamalika

Debnath, Tanay

Das, Abhijit K.
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Text and Data Mining valid from 2019-01-12
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Article History

Received: 29 October 2018

Accepted: 1 January 2019

First Online: 12 January 2019

Compliance with ethical standards

:

: The authors declare that they have no conflict of interest.

: Table InternalRef removed reports the EA and VDE of the superhalogens. Table InternalRef removed reports the BE, charge flow, and Mulliken spin density values evaluated at B3LYP level. Figure InternalRef removed depicts the optimized structures of the superhalogens. Cartesian coordinates for the optimized structures of the superhalogens, Y molecules, and all the Y-AuF<sub><i>n</i></sub> complexes are provided in the supplementary information.