The phenalenyl motif: A magnetic chameleon

Michał K. Cyrański; Remco W.A. Havenith; Michał A. Dobrowolski; Benjamin R. Gray; Tadeusz M. Krygowski; Patrick W. Fowler; Leonardus W. Jenneskens

doi:10.1002/chem.200601619

The phenalenyl motif: A magnetic chameleon

Michał K. Cyrański, Remco W.A. Havenith, Michał A. Dobrowolski, Benjamin R. Gray, Tadeusz M. Krygowski, Patrick W. Fowler^*, Leonardus W. Jenneskens

^*Corresponding author voor dit werk

Onderzoeksoutput: Article › Academic › peer review

49 Citaten (Scopus)

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The 12π cation (3) and 14π anion (4) derived from the phenalenyl radical (2) support diatropic ("aromatic") perimeter ring currents, but isoelectronic replacement of the central atom by either boron (5) or nitrogen (6) leads to paratropic ("antiaromatic") current; the ipsocentric approach to molecular magnetic response accounts for all four patterns in terms of competition between translationally and rotationally allowed virtual π-π* excitations.

Originele taal-2	English
Pagina's (van-tot)	2201-2207
Aantal pagina's	7
Tijdschrift	Chemistry - A European Journal
Volume	13
Nummer van het tijdschrift	8
DOI's	https://doi.org/10.1002/chem.200601619
Status	Published - 2007
Extern gepubliceerd	Ja

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title = "The phenalenyl motif: A magnetic chameleon",

abstract = "The 12π cation (3) and 14π anion (4) derived from the phenalenyl radical (2) support diatropic ({"}aromatic{"}) perimeter ring currents, but isoelectronic replacement of the central atom by either boron (5) or nitrogen (6) leads to paratropic ({"}antiaromatic{"}) current; the ipsocentric approach to molecular magnetic response accounts for all four patterns in terms of competition between translationally and rotationally allowed virtual π-π* excitations.",

keywords = "Ab initio calculations, Aromaticity, Huckel theory, Phenalenes, Ring currents",

author = "Cyra{\'n}ski, {Micha{\l} K.} and Havenith, {Remco W.A.} and Dobrowolski, {Micha{\l} A.} and Gray, {Benjamin R.} and Krygowski, {Tadeusz M.} and Fowler, {Patrick W.} and Jenneskens, {Leonardus W.}",

year = "2007",

doi = "10.1002/chem.200601619",

language = "English",

volume = "13",

pages = "2201--2207",

journal = "Chemistry - A European Journal",

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publisher = "Wiley-VCH Verlag GmbH & Co. KGaA",

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TY - JOUR

T1 - The phenalenyl motif

T2 - A magnetic chameleon

AU - Cyrański, Michał K.

AU - Havenith, Remco W.A.

AU - Dobrowolski, Michał A.

AU - Gray, Benjamin R.

AU - Krygowski, Tadeusz M.

AU - Fowler, Patrick W.

AU - Jenneskens, Leonardus W.

PY - 2007

Y1 - 2007

N2 - The 12π cation (3) and 14π anion (4) derived from the phenalenyl radical (2) support diatropic ("aromatic") perimeter ring currents, but isoelectronic replacement of the central atom by either boron (5) or nitrogen (6) leads to paratropic ("antiaromatic") current; the ipsocentric approach to molecular magnetic response accounts for all four patterns in terms of competition between translationally and rotationally allowed virtual π-π* excitations.

AB - The 12π cation (3) and 14π anion (4) derived from the phenalenyl radical (2) support diatropic ("aromatic") perimeter ring currents, but isoelectronic replacement of the central atom by either boron (5) or nitrogen (6) leads to paratropic ("antiaromatic") current; the ipsocentric approach to molecular magnetic response accounts for all four patterns in terms of competition between translationally and rotationally allowed virtual π-π* excitations.

KW - Ab initio calculations

KW - Aromaticity

KW - Huckel theory

KW - Phenalenes

KW - Ring currents

UR - http://www.scopus.com/inward/record.url?scp=34247131621&partnerID=8YFLogxK

U2 - 10.1002/chem.200601619

DO - 10.1002/chem.200601619

M3 - Article

AN - SCOPUS:34247131621

SN - 0947-6539

VL - 13

SP - 2201

EP - 2207

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 8

ER -

The phenalenyl motif: A magnetic chameleon

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