Computations of hexa-nitrated and hexa-anilinated fullerenes

Z. Slanina, S. Iida, X. Zhao, L. Y. Chiang, Ludwik Adamowicz, E. Osawa

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Oligo-nitrated and oligo-anilinated C60 derivatives offer various application options and thus, computations of their molecular structures, spectra, and stabilities are needed. The paper reports systematic quantum-chemical semiempirical (PM3, SAM1) computations of the structures, energetics, and vibrations of the hexa-adducts, and relates them to the available experimental data.

Original languageEnglish (US)
Pages (from-to)1101-1102
Number of pages2
JournalSynthetic Metals
Volume121
Issue number1-3
DOIs
StatePublished - Mar 15 2001

Fingerprint

Fullerenes
fullerenes
Molecular structure
adducts
molecular structure
Derivatives
vibration

Keywords

  • Fullerenes and derivatives
  • Semi-emperical models and model calculations

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

Slanina, Z., Iida, S., Zhao, X., Chiang, L. Y., Adamowicz, L., & Osawa, E. (2001). Computations of hexa-nitrated and hexa-anilinated fullerenes. Synthetic Metals, 121(1-3), 1101-1102. https://doi.org/10.1016/S0379-6779(00)01490-9

Computations of hexa-nitrated and hexa-anilinated fullerenes. / Slanina, Z.; Iida, S.; Zhao, X.; Chiang, L. Y.; Adamowicz, Ludwik; Osawa, E.

In: Synthetic Metals, Vol. 121, No. 1-3, 15.03.2001, p. 1101-1102.

Research output: Contribution to journalArticle

Slanina, Z, Iida, S, Zhao, X, Chiang, LY, Adamowicz, L & Osawa, E 2001, 'Computations of hexa-nitrated and hexa-anilinated fullerenes', Synthetic Metals, vol. 121, no. 1-3, pp. 1101-1102. https://doi.org/10.1016/S0379-6779(00)01490-9
Slanina, Z. ; Iida, S. ; Zhao, X. ; Chiang, L. Y. ; Adamowicz, Ludwik ; Osawa, E. / Computations of hexa-nitrated and hexa-anilinated fullerenes. In: Synthetic Metals. 2001 ; Vol. 121, No. 1-3. pp. 1101-1102.
@article{b7212dc07c434a5a95867db648913dca,
title = "Computations of hexa-nitrated and hexa-anilinated fullerenes",
abstract = "Oligo-nitrated and oligo-anilinated C60 derivatives offer various application options and thus, computations of their molecular structures, spectra, and stabilities are needed. The paper reports systematic quantum-chemical semiempirical (PM3, SAM1) computations of the structures, energetics, and vibrations of the hexa-adducts, and relates them to the available experimental data.",
keywords = "Fullerenes and derivatives, Semi-emperical models and model calculations",
author = "Z. Slanina and S. Iida and X. Zhao and Chiang, {L. Y.} and Ludwik Adamowicz and E. Osawa",
year = "2001",
month = "3",
day = "15",
doi = "10.1016/S0379-6779(00)01490-9",
language = "English (US)",
volume = "121",
pages = "1101--1102",
journal = "Synthetic Metals",
issn = "0379-6779",
publisher = "Elsevier BV",
number = "1-3",

}

TY - JOUR

T1 - Computations of hexa-nitrated and hexa-anilinated fullerenes

AU - Slanina, Z.

AU - Iida, S.

AU - Zhao, X.

AU - Chiang, L. Y.

AU - Adamowicz, Ludwik

AU - Osawa, E.

PY - 2001/3/15

Y1 - 2001/3/15

N2 - Oligo-nitrated and oligo-anilinated C60 derivatives offer various application options and thus, computations of their molecular structures, spectra, and stabilities are needed. The paper reports systematic quantum-chemical semiempirical (PM3, SAM1) computations of the structures, energetics, and vibrations of the hexa-adducts, and relates them to the available experimental data.

AB - Oligo-nitrated and oligo-anilinated C60 derivatives offer various application options and thus, computations of their molecular structures, spectra, and stabilities are needed. The paper reports systematic quantum-chemical semiempirical (PM3, SAM1) computations of the structures, energetics, and vibrations of the hexa-adducts, and relates them to the available experimental data.

KW - Fullerenes and derivatives

KW - Semi-emperical models and model calculations

UR - http://www.scopus.com/inward/record.url?scp=0035867480&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035867480&partnerID=8YFLogxK

U2 - 10.1016/S0379-6779(00)01490-9

DO - 10.1016/S0379-6779(00)01490-9

M3 - Article

VL - 121

SP - 1101

EP - 1102

JO - Synthetic Metals

JF - Synthetic Metals

SN - 0379-6779

IS - 1-3

ER -