Application of frontier orbital theory to cycloaddition reactions of some tricarbonyliron complexes

Suman K. Chopra; Grainne Moran; Patrick McArdle

doi:10.1016/S0022-328X(81)90017-6

Application of frontier orbital theory to cycloaddition reactions of some tricarbonyliron complexes

Suman K. Chopra, Grainne Moran, Patrick McArdle

University of Galway

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

19 Citations (Scopus)

Abstract

Frontier orbital calculations predict that 1,3-addition is the preferred cycloaddition mode for tetracyanoethylene to a range of cyclic triene complexes. The 1,6-addition previously reported for an azepine complex is not an allowed reaction but is produced by isomerization of a 1,3 addition product.

Original language	English
Pages (from-to)	C36-C38
Journal	Journal of Organometallic Chemistry
Volume	214
Issue number	3
DOIs	https://doi.org/10.1016/S0022-328X(81)90017-6
Publication status	Published - 1981
Externally published	Yes

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title = "Application of frontier orbital theory to cycloaddition reactions of some tricarbonyliron complexes",

abstract = "Frontier orbital calculations predict that 1,3-addition is the preferred cycloaddition mode for tetracyanoethylene to a range of cyclic triene complexes. The 1,6-addition previously reported for an azepine complex is not an allowed reaction but is produced by isomerization of a 1,3 addition product.",

author = "Chopra, \{Suman K.\} and Grainne Moran and Patrick McArdle",

year = "1981",

doi = "10.1016/S0022-328X(81)90017-6",

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TY - JOUR

T1 - Application of frontier orbital theory to cycloaddition reactions of some tricarbonyliron complexes

AU - Chopra, Suman K.

AU - Moran, Grainne

AU - McArdle, Patrick

PY - 1981

Y1 - 1981

N2 - Frontier orbital calculations predict that 1,3-addition is the preferred cycloaddition mode for tetracyanoethylene to a range of cyclic triene complexes. The 1,6-addition previously reported for an azepine complex is not an allowed reaction but is produced by isomerization of a 1,3 addition product.

AB - Frontier orbital calculations predict that 1,3-addition is the preferred cycloaddition mode for tetracyanoethylene to a range of cyclic triene complexes. The 1,6-addition previously reported for an azepine complex is not an allowed reaction but is produced by isomerization of a 1,3 addition product.

UR - https://www.scopus.com/pages/publications/33749496043

U2 - 10.1016/S0022-328X(81)90017-6

DO - 10.1016/S0022-328X(81)90017-6

M3 - Article

SN - 0022-328X

VL - 214

SP - C36-C38

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

IS - 3

ER -

Application of frontier orbital theory to cycloaddition reactions of some tricarbonyliron complexes

Abstract

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