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High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC₁₀H₆)SS(C₁₀H₆SPh-8')-1' with the QTAIM approach: evidence for S₄ σ(4c-6e) at the naphthalene peri-positions.

ABSTRACT: An extended hypervalent S₄ σ(4c-6e) system was confirmed for the linear ^BS-∗-^AS-∗-^AS-∗-^BS interaction in 1-(8-Ph^BSC₁₀H₆)^AS-^AS(C₁₀H₆ ^BSPh-8')-1' (1) via high-resolution X-ray diffraction determination of electron densities. The presence of bond critical points (BCPs; ∗) on the bond paths confirms the nature and extent of this interaction. The recently developed QTAIM dual functional analysis (QTAIM-DFA) approach was also applied to elucidate the nature of the interaction. Total electron energy densities H _b( r _c) were plotted versus H _b( r _c) - V

SUBMITTER: Tsubomoto Y

PROVIDER: S-EPMC9078645 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature

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High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC₁₀H₆)SS(C₁₀H₆SPh-8')-1' with the QTAIM approach: evidence for S₄ σ(4c-6e) at the naphthalene peri-positions.

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High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC10H6)SS(C10H6SPh-8')-1' with the QTAIM approach: evidence for S4 σ(4c-6e) at the naphthalene peri-positions.

OmicsDI is part of the ELIXIR infrastructure

Tweets

High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC₁₀H₆)SS(C₁₀H₆SPh-8')-1' with the QTAIM approach: evidence for S₄ σ(4c-6e) at the naphthalene peri-positions.