Fragmentation of an [RP5Cl]+ cage cation induced by an N-Heterocyclic carbene

Michael H. Holthausen; Sabrina K. Surmiak; Paul Jerabek; Gernot Frenking; Jan J. Weigand

doi:10.1002/anie.201302914

Fragmentation of an [RP₅Cl]⁺ cage cation induced by an N-Heterocyclic carbene

Michael H. Holthausen, Sabrina K. Surmiak, Paul Jerabek, Gernot Frenking, Jan J. Weigand

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

42 Scopus citations

Abstract

The cage compound [DippP₅Cl][GaCl₄] (Dipp=2,6-diisopropylphenyl) reacts with an NHC (N-heterocyclic carbene) by an unprecedented [3+2] fragmentation of the P₅⁺ core. This yields an imidazoliumyl-substituted P₃ species featuring a triphosphaallyl anion motif and a neutral P₂ compound. The mechanism of the fragmentation reaction was elucidated by means of experimental and quantum chemical methods.

Original language	English
Pages (from-to)	11078-11082
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	52
Issue number	42
DOIs	https://doi.org/10.1002/anie.201302914
State	Published - 11 Oct 2013
Externally published	Yes

Keywords

DFT calculations
carbenes
phosphorus cations
structure elucidation
triphosphaallyl anion

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10.1002/anie.201302914

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title = "Fragmentation of an [RP5Cl]+ cage cation induced by an N-Heterocyclic carbene",

abstract = "The cage compound [DippP5Cl][GaCl4] (Dipp=2,6-diisopropylphenyl) reacts with an NHC (N-heterocyclic carbene) by an unprecedented [3+2] fragmentation of the P5+ core. This yields an imidazoliumyl-substituted P3 species featuring a triphosphaallyl anion motif and a neutral P2 compound. The mechanism of the fragmentation reaction was elucidated by means of experimental and quantum chemical methods.",

keywords = "DFT calculations, carbenes, phosphorus cations, structure elucidation, triphosphaallyl anion",

author = "Holthausen, {Michael H.} and Surmiak, {Sabrina K.} and Paul Jerabek and Gernot Frenking and Weigand, {Jan J.}",

year = "2013",

month = oct,

day = "11",

doi = "10.1002/anie.201302914",

language = "英语",

volume = "52",

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journal = "Angewandte Chemie - International Edition",

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T1 - Fragmentation of an [RP5Cl]+ cage cation induced by an N-Heterocyclic carbene

AU - Holthausen, Michael H.

AU - Surmiak, Sabrina K.

AU - Jerabek, Paul

AU - Frenking, Gernot

AU - Weigand, Jan J.

PY - 2013/10/11

Y1 - 2013/10/11

N2 - The cage compound [DippP5Cl][GaCl4] (Dipp=2,6-diisopropylphenyl) reacts with an NHC (N-heterocyclic carbene) by an unprecedented [3+2] fragmentation of the P5+ core. This yields an imidazoliumyl-substituted P3 species featuring a triphosphaallyl anion motif and a neutral P2 compound. The mechanism of the fragmentation reaction was elucidated by means of experimental and quantum chemical methods.

AB - The cage compound [DippP5Cl][GaCl4] (Dipp=2,6-diisopropylphenyl) reacts with an NHC (N-heterocyclic carbene) by an unprecedented [3+2] fragmentation of the P5+ core. This yields an imidazoliumyl-substituted P3 species featuring a triphosphaallyl anion motif and a neutral P2 compound. The mechanism of the fragmentation reaction was elucidated by means of experimental and quantum chemical methods.

KW - DFT calculations

KW - carbenes

KW - phosphorus cations

KW - structure elucidation

KW - triphosphaallyl anion

UR - http://www.scopus.com/inward/record.url?scp=84885459209&partnerID=8YFLogxK

U2 - 10.1002/anie.201302914

DO - 10.1002/anie.201302914

M3 - 文章

AN - SCOPUS:84885459209

SN - 1433-7851

VL - 52

SP - 11078

EP - 11082

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 42

ER -

Fragmentation of an [RP₅Cl]⁺ cage cation induced by an N-Heterocyclic carbene

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Keywords

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