TY - JOUR

T1 - Adducts AnC60Hn

T2 - Electro-optical properties and quantum chemical calculation data

AU - Yevlampieva, N. P.

AU - Sheka, E. F.

PY - 2006/12/1

Y1 - 2006/12/1

N2 - Experimental studies of electro-optical Kerr effect in solution detect variations in the molecular behavior of adducts AnC 60Hn (n=1, 2...6) synthesized by fullerene reactions with the charged (lithium precursor) and neutral (primary amine) nucleophiles. Theoretical analysis of two corresponding structure compounds (adducts A1 and A2) performed by quantum chemical semi-empirical method AM1 shows a difference in the charge distribution for A1 and A2 and a significant difference in polarity of adducts A1 and A2 with the same addend numbers, which may be responsible for the observed peculiarities in electro-optical behavior of styrene-fullerene and amine-fullerene derivatives.

AB - Experimental studies of electro-optical Kerr effect in solution detect variations in the molecular behavior of adducts AnC 60Hn (n=1, 2...6) synthesized by fullerene reactions with the charged (lithium precursor) and neutral (primary amine) nucleophiles. Theoretical analysis of two corresponding structure compounds (adducts A1 and A2) performed by quantum chemical semi-empirical method AM1 shows a difference in the charge distribution for A1 and A2 and a significant difference in polarity of adducts A1 and A2 with the same addend numbers, which may be responsible for the observed peculiarities in electro-optical behavior of styrene-fullerene and amine-fullerene derivatives.

KW - Electro-optical Kerr effect

KW - Fullerene C adducts

KW - Quantum chemical semi-empirical method AM1

UR - http://www.scopus.com/inward/record.url?scp=33745176253&partnerID=8YFLogxK

U2 - 10.1080/15363830600665474

DO - 10.1080/15363830600665474

M3 - Article

AN - SCOPUS:33745176253

VL - 14

SP - 343

EP - 348

JO - Fullerenes Nanotubes and Carbon Nanostructures

JF - Fullerenes Nanotubes and Carbon Nanostructures

SN - 1536-383X

IS - 2-3

ER -