C28 and C48 fullerenes special properties

G. T. Klimko; M. M. Mestechkin; G. E. Whyman; S. Khmelevsky

doi:10.1016/S0022-2860(98)00815-1

C₂₈ and C₄₈ fullerenes special properties

G. T. Klimko
, M. M. Mestechkin
, G. E. Whyman
, S. Khmelevsky

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

It was found that the ground state of the carbon cluster C₂₈ of T(d) symmetry is quintet having negative spin-densities. Another cluster C₄₈ of O(h) symmetry manifests different instabilities but has the singlet ground state ¹A(g) with alternation of bond lengths. The fcc lattices for solid C₂₈ doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C₄₈ are discussed.

Original language	English
Pages (from-to)	329-333
Number of pages	5
Journal	Journal of Molecular Structure
Volume	480-481
DOIs	https://doi.org/10.1016/S0022-2860(98)00815-1
State	Published - 4 May 1999
Externally published	Yes

Keywords

Fullerene
Fulleride
Instability
Nonlinear optical property
Open-shell

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10.1016/S0022-2860(98)00815-1

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title = "C28 and C48 fullerenes special properties",

abstract = "It was found that the ground state of the carbon cluster C28 of T(d) symmetry is quintet having negative spin-densities. Another cluster C48 of O(h) symmetry manifests different instabilities but has the singlet ground state 1A(g) with alternation of bond lengths. The fcc lattices for solid C28 doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C48 are discussed.",

keywords = "Fullerene, Fulleride, Instability, Nonlinear optical property, Open-shell",

author = "Klimko, \{G. T.\} and Mestechkin, \{M. M.\} and Whyman, \{G. E.\} and S. Khmelevsky",

year = "1999",

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day = "4",

doi = "10.1016/S0022-2860(98)00815-1",

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issn = "0022-2860",

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T1 - C28 and C48 fullerenes special properties

AU - Klimko, G. T.

AU - Mestechkin, M. M.

AU - Whyman, G. E.

AU - Khmelevsky, S.

PY - 1999/5/4

Y1 - 1999/5/4

N2 - It was found that the ground state of the carbon cluster C28 of T(d) symmetry is quintet having negative spin-densities. Another cluster C48 of O(h) symmetry manifests different instabilities but has the singlet ground state 1A(g) with alternation of bond lengths. The fcc lattices for solid C28 doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C48 are discussed.

AB - It was found that the ground state of the carbon cluster C28 of T(d) symmetry is quintet having negative spin-densities. Another cluster C48 of O(h) symmetry manifests different instabilities but has the singlet ground state 1A(g) with alternation of bond lengths. The fcc lattices for solid C28 doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C48 are discussed.

KW - Fullerene

KW - Fulleride

KW - Instability

KW - Nonlinear optical property

KW - Open-shell

UR - https://www.scopus.com/pages/publications/0033522597

U2 - 10.1016/S0022-2860(98)00815-1

DO - 10.1016/S0022-2860(98)00815-1

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0033522597

SN - 0022-2860

VL - 480-481

SP - 329

EP - 333

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -

C₂₈ and C₄₈ fullerenes special properties

Abstract

Keywords

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