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Pentagonal bipyramidal molecular geometry

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Molecular structure having atoms at the centre and corners of a pentagonal bipyramid

Pentagonal bipyramidal molecular geometry

Examples	IF₇,ZrF3−7
Point group	D_5h
Coordination number	7
Bond angle(s)	90°, 72°
μ (Polarity)	0

Structure ofiodine heptafluoride, an example of a molecule with the pentagonal-bipyramidal coordination geometry.

Inchemistry, apentagonal bipyramid is amolecular geometry with one atom at the centre with sevenligands at the corners of apentagonal bipyramid. A perfect pentagonal bipyramid belongs to themolecular point groupD_5h.

The pentagonal bipyramid is a case where bond angles surrounding an atom are not identical (see alsotrigonal bipyramidal molecular geometry).^[1]^{[page needed]} This is one of the three common shapes for heptacoordinatetransition metal complexes, along with thecapped octahedron and thecapped trigonal prism.^[2]^[3]^{[page needed]}

Pentagonal bipyramids are claimed to be promising coordination geometries forlanthanide-basedsingle-molecule magnets, since they present noextradiagonal crystal field terms, therefore minimising spin mixing, and all of their diagonal terms are in first approximation protected from low-energy vibrations, minimisingvibronic coupling.^[4]

Examples

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Iodine heptafluoride (IF₇) with 7 bonding groups
Rhenium heptafluoride (ReF₇)
Peroxochromium (IV) complexes, such as [Cr(O₂)₂(NH₃)₃], where theperoxo groups occupy four of the planar positions.
ZrF³⁻
₇ andHfF³⁻
₇^[5]^[6]

References

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^Cotton, F. Albert;Wilkinson, Geoffrey; Murillo, Carlos A.; Bochmann, Manfred (1999),Advanced Inorganic Chemistry (6th ed.), New York: Wiley-Interscience,ISBN 0-471-19957-5
^Roald. Hoffmann; Barbara F. Beier; Earl L. Muetterties; Angelo R. Rossi (1977). "Seven-coordination. A molecular orbital exploration of structure, stereochemistry, and reaction dynamics".Inorganic Chemistry.16 (3):511–522.doi:10.1021/ic50169a002.
^Wells, A. F. (1984).Structural Inorganic Chemistry (5th ed.). Oxford Science Publications.ISBN 0-19-855370-6.
^Duan, Yan; Rosaleny, Lorena E.; Coutinho, Joana T.; Giménez-Santamarina, Silvia; Scheie, Allen; Baldoví, José J.; Cardona-Serra, Salvador; Gaita-Ariño, Alejandro (2022-12-09)."Data-driven design of molecular nanomagnets".Nature Communications.13 (1): 7626.Bibcode:2022NatCo..13.7626D.doi:10.1038/s41467-022-35336-9.ISSN 2041-1723.PMC 9734471.PMID 36494346.
^Kaupp, Martin (2001). ""Non-VSEPR" Structures and Bonding in d⁰ Systems".Angewandte Chemie International Edition in English.40 (1):3534–3565.doi:10.1002/1521-3773(20011001)40:19<3534::AID-ANIE3534>3.0.CO;2-#.PMID 11592184.
^Zhenyang Lin; Ian Bytheway (1996). "Stereochemistry of Seven-Coordinate Main Group and d⁰ Transition Metal Molecules".Inorganic Chemistry.35 (3):594–603.doi:10.1021/ic950271o.

External links

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[1] – Images of IF₇
3D Chem – Chemistry, Structures, and 3D Molecules
IUMSC – Indiana University Molecular Structure Center

v t e Molecular geometry
VSEPR theory Coordination number
Coordination number 2	Linear Bent
Coordination number 3	Trigonal planar Trigonal pyramidal T-shaped
Coordination number 4	Tetrahedral Seesaw Square planar
Coordination number 5	Trigonal bipyramidal Square pyramidal Pentagonal planar
Coordination number 6	Octahedral Trigonal prismatic Pentagonal pyramidal
Coordination number 7	Pentagonal bipyramidal Capped octahedral Capped trigonal prismatic
Coordination number 8	Square antiprismatic Dodecahedral Bicapped trigonal prismatic Cubic
Coordination number 9	Tricapped trigonal prismatic Capped square antiprismatic
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