On the Stability of Trioxo(η5 ‐Cyclopentadienyl) Compounds of Manganese, Technetium, and Rhenium: An ab initio SCF Study

Thomas Szyperski; Peter Schwerdtfeger

doi:10.1002/anie.198912281

On the Stability of Trioxo(η⁵ ‐Cyclopentadienyl) Compounds of Manganese, Technetium, and Rhenium: An ab initio SCF Study

Thomas Szyperski
, Peter Schwerdtfeger

Chemistry

The University of Auckland

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

33 Scopus citations

Abstract

An isolobal analogy exists between the radicals TcO₃, ReO₃, and CH₃, but not between MnO₃ and CH₃, according to ab initio SCF calculations. Consequently, compounds containing RTcO₃ and RReO₃ groups (where R is an organic or inorganic residue) should be stable. These results confirm calculations based on CpMO₃ (1), which predict positive force constants for M  Tc or Re, but repulsion in the case M = Mn. (Figure Presented.)

Original language	English
Pages (from-to)	1228-1231
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	28
Issue number	9
DOIs	https://doi.org/10.1002/anie.198912281
State	Published - Sep 1989

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title = "On the Stability of Trioxo(η5 ‐Cyclopentadienyl) Compounds of Manganese, Technetium, and Rhenium: An ab initio SCF Study",

abstract = "An isolobal analogy exists between the radicals TcO3, ReO3, and CH3, but not between MnO3 and CH3, according to ab initio SCF calculations. Consequently, compounds containing RTcO3 and RReO3 groups (where R is an organic or inorganic residue) should be stable. These results confirm calculations based on CpMO3 (1), which predict positive force constants for M  Tc or Re, but repulsion in the case M = Mn. (Figure Presented.)",

author = "Thomas Szyperski and Peter Schwerdtfeger",

year = "1989",

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T1 - On the Stability of Trioxo(η5 ‐Cyclopentadienyl) Compounds of Manganese, Technetium, and Rhenium

T2 - An ab initio SCF Study

AU - Szyperski, Thomas

AU - Schwerdtfeger, Peter

PY - 1989/9

Y1 - 1989/9

N2 - An isolobal analogy exists between the radicals TcO3, ReO3, and CH3, but not between MnO3 and CH3, according to ab initio SCF calculations. Consequently, compounds containing RTcO3 and RReO3 groups (where R is an organic or inorganic residue) should be stable. These results confirm calculations based on CpMO3 (1), which predict positive force constants for M  Tc or Re, but repulsion in the case M = Mn. (Figure Presented.)

AB - An isolobal analogy exists between the radicals TcO3, ReO3, and CH3, but not between MnO3 and CH3, according to ab initio SCF calculations. Consequently, compounds containing RTcO3 and RReO3 groups (where R is an organic or inorganic residue) should be stable. These results confirm calculations based on CpMO3 (1), which predict positive force constants for M  Tc or Re, but repulsion in the case M = Mn. (Figure Presented.)

UR - https://www.scopus.com/pages/publications/84990086012

U2 - 10.1002/anie.198912281

DO - 10.1002/anie.198912281

M3 - Article

AN - SCOPUS:84990086012

SN - 1433-7851

VL - 28

SP - 1228

EP - 1231

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 9

ER -

On the Stability of Trioxo(η⁵ ‐Cyclopentadienyl) Compounds of Manganese, Technetium, and Rhenium: An ab initio SCF Study

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