NDLI: Structure and properties of some new dihydropyrazine–tetracyanoquinodimethane charge transfer salts

Content Provider	Royal Society of Chemistry (RSC)
Author	Brook, David J. R. Koch, Tad H.
Copyright Year	1997
Abstract	Rapid crystallization of acetonitrile solutions containing 4a,8a-diaza-2,6-dioxa-3,4,7,8-tetrahydro-4,4,8,8-tetramethylanthracene-1,++5-dione (DDTTA) and 7,7,8,8-tetracyanoquinodimethane (TCNQ) results in two new polymorphs of the previously reported charge transfer salt DDTTA(TCNQ)2.The first of these {β-[DDTTA(TCNQ)2 ]} crystallizes in the space group P21 /c with cell dimensions a=15.04(2), b=6.953(7), c=16.22(2) Å, beta;=99.4(1)°. The structure of the second polymorph {γ-[DDTTA(TCNQ)2 ]} could not be determined as a result of small crystal size. The new donor, 2,4,4,6,8,8-hexamethyl-2,4a,6,8a-tetraaza-3,4,7,8-tetrahydroanthracene-1,++5-dione (HTTA) also forms a charge transfer salt with TCNQ of composition HTTA·TCNQ·CH3CN. This salt crystallizes in the space group P21 /c with a=8.973(1), b=22.907(4), c=14.048(2) Å, β=96.69(1)°. The magnetic susceptibility of the three new materials and the originally reported structure {α-[DDTTA(TCNQ)2 ]} was recorded as a function of temperature. Ferromagnetic exchange is observed between DDTTA cations in α-[DDTTA(TCNQ)2 ] as a result of the molecular alignment brought about by hydrogen bonding. Hydrogen bonding between cations is also observed in HTTA·TCNQ·CH3CN; however, a slightly different orientation results in weak antiferromagnetic exchange between cations. β-[DDTTA(TCNQ)2 ] and γ-[DDTTA(TCNQ)2 ] also show overall antiferromagnetic exchange. In the DDTTA salts, the TCNQ anions are arranged in stacks resulting in semiconducting behavior. In the α and β phases these stacks are dimerized whereas the magnetic susceptibility of the γ phase suggests the stack is tetramerized. In HTTA·TCNQ·CH3CN the TCNQ anions are arranged in discrete dimers.
Starting Page	2381
Ending Page	2385
Page Count	5
File Format	PDF
ISSN	09599428
Volume Number	7
Issue Number	12
Journal	Journal of Materials Chemistry
DOI	10.1039/a704946c
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	TCNQ Acetonitrile Tetracyanoquinodimethane Granulocyte Space group Shapeshifting Magnetic susceptibility Ferromagnetism Hydrogen bond Antiferromagnetism
Content Type	Text
Resource Type	Article
Subject	Chemistry Materials Chemistry

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