Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene).

Literature DB >> 17636357

Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene).

Abstract

A global electrophilicity parameter and the aromaticity of some heterocyclic polyaromatic hydrocarbons were evaluated on the basis of DFT calculations. The substitution of carbon atoms by nitrogen atoms dramatically changes the global electrophilicity of the molecules, with the fully substituted molecule being the most electrophilic with a reactivity very close to that of fullerene.

Entities: Chemical

Mesh：

Substances：

Year: 2007 PMID： 17636357 DOI： 10.1007/s00894-007-0223-6

Source DB: PubMed Journal: J Mol Model ISSN： 0948-5023 Impact factor: 1.810

Keyword Cloud
References

11 in total

1. Structural aspects of aromaticity.

Authors: T M Krygowski; M K Cyrański
Journal: Chem Rev Date: 2001-05 Impact factor: 60.622

2. Accurate and simple analytic representation of the electron-gas correlation energy.

Authors:
Journal: Phys Rev B Condens Matter Date: 1992-06-15

3. Tetrathiafulvalenes, oligoacenenes, and their buckminsterfullerene derivatives: the brick and mortar of organic electronics.

Authors: Michael Bendikov; Fred Wudl; Dmitrii F Perepichka
Journal: Chem Rev Date: 2004-11 Impact factor: 60.622

Review 4. Spherical aromaticity: recent work on fullerenes, polyhedral boranes, and related structures.

Authors: Zhongfang Chen; R Bruce King
Journal: Chem Rev Date: 2005-10 Impact factor: 60.622

Review 5. Toward the ideal organic light-emitting diode. The versatility and utility of interfacial tailoring by cross-linked siloxane interlayers.

Authors: Jonathan G C Veinot; Tobin J Marks
Journal: Acc Chem Res Date: 2005-08 Impact factor: 22.384

Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene).

1. Structural aspects of aromaticity.

2. Accurate and simple analytic representation of the electron-gas correlation energy.

3. Tetrathiafulvalenes, oligoacenenes, and their buckminsterfullerene derivatives: the brick and mortar of organic electronics.

Review 4. Spherical aromaticity: recent work on fullerenes, polyhedral boranes, and related structures.

Review 5. Toward the ideal organic light-emitting diode. The versatility and utility of interfacial tailoring by cross-linked siloxane interlayers.

6. Density-functional exchange-energy approximation with correct asymptotic behavior.

7. Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe.

8. Synthesis and self-assembly of functionalized hexa-peri-hexabenzocoronenes.

9. Heterosuperbenzenes: a new family of nitrogen-functionalized, graphitic molecules.

10. Complexed nitrogen heterosuperbenzene: the coordinating properties of a remarkable ligand.