Calculated structures of SAu3+ and S(AuPH 3)3+

Pekka Pyykkö; Klaus Angermaier; Bernd Assmann; Hubert Schmidbaur

doi:10.1039/C39950001889

Calculated structures of SAu₃⁺ and S(AuPH ₃)₃⁺

Pekka Pyykkö, Klaus Angermaier, Bernd Assmann, Hubert Schmidbaur

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

43 Scopus citations

Abstract

Pseudopotential ab initio calculations on SAu₃⁺ and S(AuPH₃)₃⁺ closely reproduce the experimental Au-S-Au angles of monomeric S(AuPR₃)₃⁺ (PR ₃ = PPh₃, PPrⁱ₃) if both correlation and relativistic effects are included.

Original language	English
Pages (from-to)	1889-1890
Number of pages	2
Journal	Journal of the Chemical Society, Chemical Communications
Issue number	18
DOIs	https://doi.org/10.1039/C39950001889
State	Published - 1995

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title = "Calculated structures of SAu3+ and S(AuPH 3)3+",

abstract = "Pseudopotential ab initio calculations on SAu3+ and S(AuPH3)3+ closely reproduce the experimental Au-S-Au angles of monomeric S(AuPR3)3+ (PR 3 = PPh3, PPri3) if both correlation and relativistic effects are included.",

author = "Pekka Pyykk{\"o} and Klaus Angermaier and Bernd Assmann and Hubert Schmidbaur",

year = "1995",

doi = "10.1039/C39950001889",

language = "English",

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journal = "Journal of the Chemical Society, Chemical Communications",

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T1 - Calculated structures of SAu3+ and S(AuPH 3)3+

AU - Pyykkö, Pekka

AU - Angermaier, Klaus

AU - Assmann, Bernd

AU - Schmidbaur, Hubert

PY - 1995

Y1 - 1995

N2 - Pseudopotential ab initio calculations on SAu3+ and S(AuPH3)3+ closely reproduce the experimental Au-S-Au angles of monomeric S(AuPR3)3+ (PR 3 = PPh3, PPri3) if both correlation and relativistic effects are included.

AB - Pseudopotential ab initio calculations on SAu3+ and S(AuPH3)3+ closely reproduce the experimental Au-S-Au angles of monomeric S(AuPR3)3+ (PR 3 = PPh3, PPri3) if both correlation and relativistic effects are included.

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U2 - 10.1039/C39950001889

DO - 10.1039/C39950001889

M3 - Article

AN - SCOPUS:37049071642

SN - 0022-4936

SP - 1889

EP - 1890

JO - Journal of the Chemical Society, Chemical Communications

JF - Journal of the Chemical Society, Chemical Communications

IS - 18

ER -

Calculated structures of SAu₃⁺ and S(AuPH ₃)₃⁺

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