Synthesis and Structure of [Ni{Ga-C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)

Werner Uhl; Maike Benter; Sandra Melle; Wolfgang Saak; Gernot Frenking; Jamal Uddin

doi:10.1021/om990417h

Synthesis and Structure of [Ni{Ga-C(SiMe₃)₃}₄] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)₄] (E = B, Al, Ga, In, Tl)

Werner Uhl, Maike Benter, Sandra Melle, Wolfgang Saak, Gernot Frenking, Jamal Uddin

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Abstract

The reaction of bis(cyclooctadiene)nickel with Ga₄[C(SiMe₃)₃]₄ (1) yields a coordination compound analogous to [Ni(CO)₄], [Ni{Ga-C(SiMe₃)₃}₄], which shows a tetrahedral coordination of the central nickel atom, linear Ni-Ga-C groups, and very short Ni-Ga distances. Quantum-chemical DFT calculations on the model complexes [Ni(EMe)₄] (E = B, Al, Ga, In, Tl) verify strong π back-donation of electron density from nickel to the empty p(π) orbitals of the group 13 elements, which is more effective than in tetracarbonylnickel itself.

Original language	English
Pages (from-to)	3778-3780
Number of pages	3
Journal	Organometallics
Volume	18
Issue number	19
DOIs	https://doi.org/10.1021/om990417h
State	Published - 13 Sep 1999
Externally published	Yes

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title = "Synthesis and Structure of [Ni{Ga-C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)",

abstract = "The reaction of bis(cyclooctadiene)nickel with Ga4[C(SiMe3)3]4 (1) yields a coordination compound analogous to [Ni(CO)4], [Ni{Ga-C(SiMe3)3}4], which shows a tetrahedral coordination of the central nickel atom, linear Ni-Ga-C groups, and very short Ni-Ga distances. Quantum-chemical DFT calculations on the model complexes [Ni(EMe)4] (E = B, Al, Ga, In, Tl) verify strong π back-donation of electron density from nickel to the empty p(π) orbitals of the group 13 elements, which is more effective than in tetracarbonylnickel itself.",

author = "Werner Uhl and Maike Benter and Sandra Melle and Wolfgang Saak and Gernot Frenking and Jamal Uddin",

year = "1999",

month = sep,

day = "13",

doi = "10.1021/om990417h",

language = "英语",

volume = "18",

pages = "3778--3780",

journal = "Organometallics",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - Synthesis and Structure of [Ni{Ga-C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)

AU - Uhl, Werner

AU - Benter, Maike

AU - Melle, Sandra

AU - Saak, Wolfgang

AU - Frenking, Gernot

AU - Uddin, Jamal

PY - 1999/9/13

Y1 - 1999/9/13

N2 - The reaction of bis(cyclooctadiene)nickel with Ga4[C(SiMe3)3]4 (1) yields a coordination compound analogous to [Ni(CO)4], [Ni{Ga-C(SiMe3)3}4], which shows a tetrahedral coordination of the central nickel atom, linear Ni-Ga-C groups, and very short Ni-Ga distances. Quantum-chemical DFT calculations on the model complexes [Ni(EMe)4] (E = B, Al, Ga, In, Tl) verify strong π back-donation of electron density from nickel to the empty p(π) orbitals of the group 13 elements, which is more effective than in tetracarbonylnickel itself.

AB - The reaction of bis(cyclooctadiene)nickel with Ga4[C(SiMe3)3]4 (1) yields a coordination compound analogous to [Ni(CO)4], [Ni{Ga-C(SiMe3)3}4], which shows a tetrahedral coordination of the central nickel atom, linear Ni-Ga-C groups, and very short Ni-Ga distances. Quantum-chemical DFT calculations on the model complexes [Ni(EMe)4] (E = B, Al, Ga, In, Tl) verify strong π back-donation of electron density from nickel to the empty p(π) orbitals of the group 13 elements, which is more effective than in tetracarbonylnickel itself.

UR - http://www.scopus.com/inward/record.url?scp=0000664923&partnerID=8YFLogxK

U2 - 10.1021/om990417h

DO - 10.1021/om990417h

M3 - 文章

AN - SCOPUS:0000664923

SN - 0276-7333

VL - 18

SP - 3778

EP - 3780

JO - Organometallics

JF - Organometallics

IS - 19

ER -

Synthesis and Structure of [Ni{Ga-C(SiMe₃)₃}₄] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)₄] (E = B, Al, Ga, In, Tl)

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