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Title: Structural characterization of C[sub 60] and C[sub 70] fullerenes by small-angle neutron scattering

Abstract

Small-angle neutron scattering (SANS) is a proven tool for examining the structure and interactions of particles in solution, though the dimensions of carbon-cage molecules are close to the lower resolution limit of the technique. Deuterated solvents (toluene-[ital d][sub 8] and benzene-[ital d][sub 6]) have virtually no scattering contrast with carbon, and the high incoherent cross section of protonated (hydrogen containing) solvents severely limits the path length of solutions by reducing the sample transmission. We have circumvented these difficulties by using CS[sub 2] as a solvent which has good contrast with carbon, and a low incoherent cross section which allows the use of long sample path lengths (up to [similar to]10 cm). In addition, CS[sub 2] has good solubility for fullerenes and these properties permit the measurement of the radii of gyration ([ital R][sub [ital g]]) of both C[sub 60] ([ital R][sub [ital g]]=3.82[plus minus]0.05 A) and C[sub 70] ([ital R][sub [ital g]]=4.13[plus minus]0.05 A). These dimensions are similar to those calculated from the atomic coordinates after allowing for a solvent exclusion volume. Close agreement between the measured absolute scattering cross sections and the values calculated from the particle and solvent scattering length densities serves as a cross check on themore » validity of this methodology. To our knowledge, this represents the first successful application of SANS for the characterization of fullerenes. SANS makes it possible to study the size and shapes of modified buckyballs, solute/solvent interactions, crystal growth from saturated solutions, and temperature dependent transitions in solutions.« less

Authors:
 [1];  [2];  [3];  [2]; ;  [4]
  1. Chemical Technology Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831 (United States)
  2. Biology Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831 (United States)
  3. Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831 (United States)
  4. Health and Science Research Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831 (United States)
Publication Date:
OSTI Identifier:
5959211
DOE Contract Number:  
AC05-84OR21400
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics; (United States)
Additional Journal Information:
Journal Volume: 99:11; Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; FULLERENES; COUPLING; STRUCTURE FACTORS; SOLUTIONS; BENZENE; CESIUM; CROSS SECTIONS; DEUTERATION; NEUTRON DIFFRACTION; SMALL ANGLE SCATTERING; SOLUBILITY; SOLVENTS; TOLUENE; ALKALI METALS; ALKYLATED AROMATICS; AROMATICS; CARBON; CHEMICAL REACTIONS; COHERENT SCATTERING; DIFFRACTION; DISPERSIONS; ELEMENTS; HYDROCARBONS; METALS; MIXTURES; NONMETALS; ORGANIC COMPOUNDS; SCATTERING; 360602* - Other Materials- Structure & Phase Studies

Citation Formats

Affholter, K A, Henderson, S J, Wignall, G D, Bunick, G J, Haufler, R E, and Compton, R N. Structural characterization of C[sub 60] and C[sub 70] fullerenes by small-angle neutron scattering. United States: N. p., 1993. Web. doi:10.1063/1.465538.
Affholter, K A, Henderson, S J, Wignall, G D, Bunick, G J, Haufler, R E, & Compton, R N. Structural characterization of C[sub 60] and C[sub 70] fullerenes by small-angle neutron scattering. United States. doi:10.1063/1.465538.
Affholter, K A, Henderson, S J, Wignall, G D, Bunick, G J, Haufler, R E, and Compton, R N. Wed . "Structural characterization of C[sub 60] and C[sub 70] fullerenes by small-angle neutron scattering". United States. doi:10.1063/1.465538.
@article{osti_5959211,
title = {Structural characterization of C[sub 60] and C[sub 70] fullerenes by small-angle neutron scattering},
author = {Affholter, K A and Henderson, S J and Wignall, G D and Bunick, G J and Haufler, R E and Compton, R N},
abstractNote = {Small-angle neutron scattering (SANS) is a proven tool for examining the structure and interactions of particles in solution, though the dimensions of carbon-cage molecules are close to the lower resolution limit of the technique. Deuterated solvents (toluene-[ital d][sub 8] and benzene-[ital d][sub 6]) have virtually no scattering contrast with carbon, and the high incoherent cross section of protonated (hydrogen containing) solvents severely limits the path length of solutions by reducing the sample transmission. We have circumvented these difficulties by using CS[sub 2] as a solvent which has good contrast with carbon, and a low incoherent cross section which allows the use of long sample path lengths (up to [similar to]10 cm). In addition, CS[sub 2] has good solubility for fullerenes and these properties permit the measurement of the radii of gyration ([ital R][sub [ital g]]) of both C[sub 60] ([ital R][sub [ital g]]=3.82[plus minus]0.05 A) and C[sub 70] ([ital R][sub [ital g]]=4.13[plus minus]0.05 A). These dimensions are similar to those calculated from the atomic coordinates after allowing for a solvent exclusion volume. Close agreement between the measured absolute scattering cross sections and the values calculated from the particle and solvent scattering length densities serves as a cross check on the validity of this methodology. To our knowledge, this represents the first successful application of SANS for the characterization of fullerenes. SANS makes it possible to study the size and shapes of modified buckyballs, solute/solvent interactions, crystal growth from saturated solutions, and temperature dependent transitions in solutions.},
doi = {10.1063/1.465538},
journal = {Journal of Chemical Physics; (United States)},
issn = {0021-9606},
number = ,
volume = 99:11,
place = {United States},
year = {1993},
month = {12}
}