In Silico Design of Heteroaromatic Half-Sandwich Rh(I) Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect

L. Orian; L.P. Wolters; F.M. Bickelhaupt

doi:10.1002/chem.201301990

In Silico Design of Heteroaromatic Half-Sandwich Rh(I) Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect

L. Orian
, L.P. Wolters
, F.M. Bickelhaupt

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Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by Rh

Original language	English
Pages (from-to)	13337-13347
Journal	Chemistry: A European Journal
Volume	2013
Issue number	15
DOIs	https://doi.org/10.1002/chem.201301990
Publication status	Published - 2013

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10.1002/chem.201301990

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title = "In Silico Design of Heteroaromatic Half-Sandwich Rh(I) Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect",

abstract = "A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by Rh",

author = "L. Orian and L.P. Wolters and F.M. Bickelhaupt",

year = "2013",

doi = "10.1002/chem.201301990",

language = "English",

volume = "2013",

pages = "13337--13347",

journal = "Chemistry: A European Journal",

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AU - Orian, L.

AU - Wolters, L.P.

AU - Bickelhaupt, F.M.

PY - 2013

Y1 - 2013

N2 - A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by Rh

AB - A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by Rh

U2 - 10.1002/chem.201301990

DO - 10.1002/chem.201301990

M3 - Article

SN - 0947-6539

VL - 2013

SP - 13337

EP - 13347

JO - Chemistry: A European Journal

JF - Chemistry: A European Journal

IS - 15

ER -

In Silico Design of Heteroaromatic Half-Sandwich Rh(I) Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect

Abstract

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