SOME PROPERTIES OF CARBON AND C60

Data compliled by the CSC and the Sussex Fullerene Group, University of Sussex*
Falmer, Brighton, East Sussex. BN1 9QJ

SOME PROPERTIES OF CARBON

Diamond Graphite C60
Crystal Structure cubic hex. fcc
density (g cm-3) 3.30 2.27 1.65
Lattice constant (A) 3.513 a=2.456 14.15
- b=6.696 -
C-C length (A) 1.54 1.42 1.455
C=C length - - 1.391
Standard heats of formation (k cal mol-1) 0.4 0.0 9.08
bulk modulus (G Pa) 1200 207 18(174)
melting point (K) 3700 3800 sublm. 800
index of refraction 2.42 - 2.2 (600nm)
conductivity insulator conductor semi conductor
resistivity (ohm m) 1 x 10E18 1.37 x 10E-5 1 x 10E14 (room temp)
naturally occuring deposit kimberlite pegmatite shungite
location S. Africa Sri-Lanka Russia
crystal formation octahedral tubular hexagonal, cubic
name meaning 'invincible' 'to write' named after arcitect
Isothermal volume compressibilities (cm2 dyn-1) 0.18 x 10E-12 2.7 x 10E-12 6.9 x 10E-12

Further properties of Buckminsterfullerene

C - C length (gas phase) 1.458
C = C 1.410
Cage Diameter 7.11
C60 - C60 nearest approach 3.1
Ionisation Potentials
C60 to C60+ 7.6 0.2 eV
C60+ to C60 2+ 12.25 0.5 eV
C602+ to C60 3+ 17.0 0.7 eV
C60 3+ to C60 4+ 21.7 eV by extrapolation
Electron affinity 2.6 eV
Band Gap 1.8 eV
relative permitivity 4.4 0.2
absorption coefficients 6.07 x 10E5 cm-1 @ 220 nm
(thin film) 1.21 x 10E5 cm-1 @ 442 nm
2nd order polarizability Zero (centrosymmetric)
3rd order polarizability 7.5 ( 2) x 10E-34 esu.
13C NMR Chemical shift 142.68 ppm
Vapour pressure at 800K 8.1 x 10E-4 Torr
Entropy of sublimation at 700 K 181.4 2.3 kJ mol-1

Solubility (at 303 K)
carbon tetrechloride 0.45 mg ml-1
benzene 1.44 mg ml-1
toluene 2.15 mg ml-1
carbon disulphide 5.16 mg ml-1
hexane 0.04 mg ml-1

SUPERCONDUCTING PROPERTIES OF FULLERENE COMPOUNDS

Superconducting Tc
K3C60 19 K
Rb3C60 29 K
Cs3C60 30 K
Cs2RbC60 33 K
Rb2.7Tl2.2C60 42.5 K*
C60Ba6 7 K
(* later withdrawn)

SPECTROSCOPIC DATA

Rotational constant

0.0028 cm-1

IR active bands - four T1u

solid* Gas phase Ar matrix
(cm-1) 1429.0 1406.9 1431.9
1182.5 1169.1 1184.8
576.5 570.3 579.3
527.0 527.0 530.0
(micro m) 6.998 7.108 6.984
8.456 8.554 8.440
17.35 17.53 17.26
18.87 18.98 18.87

(* pressure and temperature dependant)

UV and visible bands (hexane)

nm cm-1 log emax eV
211.0 47393 5.20 5.88
227.4 43975 4.95 5.46
256.6 38971 5.24 4.83
328.4 30451 4.72 3.78
377.0 26525 3.79 3.29
404.0 24754 3.47 3.07

a broad weak band also exists between 440 - 670 nm.

Also detected are bands assigned to the ions;

C60+ at 973 nm and C60- at 1068 nm.


THE CREATIVE SCIENCE CENTRE

Dr Jonathan Hare, The University of Sussex
Brighton, East Sussex. BN1 9QJ.

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