Fullerenes: applications and generalizations

Michel Deza
ENS, Paris, and ISM, Tokyo

Mathieu Dutour Sikiric

Rudjer Boskovic Institute, Zagreb, and ISM, Tokyo

p.1/92

I. General setting

p.2/92

Denition
A fullerene is a simple polyhedron (putative carbon molecule) whose vertices (carbon atoms) are arranged in pentagons and hexagons. The edges correspond to carbon-carbon bonds.
 

exist for all even

    

except for

. ,. . . , .


isomers

 

 '

preferable fullerenes, , symmetry

%  &# $ " $ % %  $ !# " $

, satisfy isolated pentagon rule.

are only icosahedral (i.e., with or ) fullerenes with vertices

p.3/92

81 6) 75 9 75 @ 81

buckminsterfullerene truncated icosahedron, soccer ball

3 4

elongated hexagonal barrel

) A4

34

)0 "( 21

p.4/92

45

4590 34 3489 15 1560 45 34 3489 1267 12 2378 23 1560 15

2378 4590

1267

23

12

Dodecahedron
%  B # $ #C D C

Graphite lattice
E

the smallest fullerene Bonjour

the largest (innite) fullerene

F

p.5/92

Small fullerenes

24,

26,

28,

28,

!G H

% G

30,

30,

30,

P QG %

SR G

SR

HI

p.6/92

VU T

p.7/92

What nature wants?

Fullerenes nanoworld: or their duals appear in architecture and
W

Biology: virus capsids and clathrine coated vesicles Organic (i.e., carbon) Chemistry also: (energy) minimizers in Thomson problem (for unit charged particles on sphere) and Skyrme problem (for given baryonic number of nucleons); maximizers, in Tammes problem, of minimum distance between points on sphere Simple polyhedra with given number of faces, which are the best approximation of sphere? Conjecture: FULLERENES

p.8/92

Gravers superfullerenes
Almost all optimizers for Thomson and Tammes problems, in the range are fullerenes.
X '  ' X

For

, appear -gonal faces; almost always for

` X

However, J.Graver (2005): in all large optimizers the and -gonal faces occurs in 12 distinct clusters, corresponding to a unique underlying fullerene.
`

p.9/92

Isoperimetric problem for polyhedra

Lhuilier 1782, Steiner 1842, Lindelf 1869, Steinitz 1927, Goldberg 1933, Fejes Tth 1948, Plya 1954 Polyhedron of greatest volume with a given number of faces and a given surface ? Polyhedron of least volume with a given number of faces circumscribed around a sphere? Maximize Isoperimetric Quotient for solids (with equality only for sphere)
hi f g ' c  d e $ b a

p.10/92

Isoperimetric problem for polyhedra

 s ! ! vw  q  r q g  ` x  s yP X w qu

Cube Octahedron Dodecahedron Icosahedron



IQ of Platonic solids ( : golden mean) Conjecture (Steiner 1842): Each of the Platonic solids is the best of all isomorphic polyhedra (still open for the Icosahedron)
X C Pr

x CP qu yP qu r w gv w  s  s  X X`

! ! q r r q  s  s X   X t 

polyhedron Tetrahedron

pc

upper bound


q s

p.10/92

Five Platonic solids

p.11/92

Goldberg Conjecture

$c

 '$ c !

(Goldberg 1933): The polyhedron with facets with greatest is a fullerene (called medial polyhedron by Goldberg)
Conjecture

 s

t   $ c

polyhedron Dodecahedron Truncated icosahedron Chamfered dodecahed. Sphere

# %  $ % $

pc

upper bound
s x  s  yP w X  qu g vw

s  s  X 

% 

&#

!#

x yP qu w v w g  s XX `

p.12/92

II. Icosahedral fullerenes

p.13/92

Icosahedral fullerenes
Call icosahedral any fullerene with symmetry

or

$ %

$ %  # $

All icosahedral fullerenes are preferable, except with

$ $ %

, where .
'

I   &#" $

(triangulation number)

for for

'

or (extended icosahedral group); (proper icosahedral group)

 

= -dodecahedron = -dodecahedron truncated icosahedron chamfered dodecahedron

  

% 

d !# $ % 

p.14/92

Icosadeltahedra
Call icosadeltahedron the dual of an icosahedral fullerene or Geodesic domes: B.Fuller Capsids of viruses: Caspar and Klug, Nobel prize 1962
O 45 4590

# W e $ %

# W e $
3459 1267 1237


1450 2378 23 34 3459

34 3489 1256 12 1560

15

2348 O 15 1560 45 2348 1450 3489 1256

4590 1267 2378 1237 23 12

!# W $ % 

Dual , pentakis-dodecahedron


   

GRAVIATION (Esher 1952) omnicapped dodecahedron

p.15/92

Icosadeltahedra in Architecture
ig i l f i l f i l f i f i  f i ~ f i } f i | f i w f i l f i l f hhf m m m | m l m j mk mk mk k k k k k k k k k
Fullerene Geodesic dome One of Salvador Dali houses Artic Institute, Bafn Island Bachelor ofcers quarters, US Air Force, Korea U.S.S. Leyte Geodesic Sphere, Mt Washington, New Hampshire US pavilion, Kabul Afghanistan Radome, Artic dEW Lawrence, Long Island US pavilion, Expo 67, Montreal Gode du Muse des Sciences, La Villete, Paris Union Tank Car, Baton Rouge, Louisiana

Alternate, Triacon and Frequency (distance of two -valent neighbors) are Buckminster Fullerss terms
  X

uz to p r sq f

uz vot p r q f

x to iz to gpv ot pp to igp ot gp to yto pvot gp no gp p q f {q f sq f sq f xzp {q f u r q f sq f r r r {q f sq f r r r r r k k k k k k k k k k

p.16/92

,
   

&# W $ % 

=
0@ ( 21 4

1 4 1 4
p.17/92

, Bonjour


as omnicapped buckminsterfullerene
!#

C&# W $ % 

  

C&# W $ %

p.18/92

Triangulations, spherical wavelets

Dual -chamfered cube ,

t       %

Dual -cham. dodecahedron , ,

P W C# t     $ %  

Used in Computer Graphics and Topography of Earth

p.19/92

III. Fullerenes in Chemistry and Biology

p.20/92

Fullerenes in Chemistry
Carbon and, possibly, silicium are only -valent elements producing homoatomic long stable chains or nets
b t

Graphite sheet: bi-lattice fullerene



  

-Voronoi(

), innite -centering of
% $

Diamond packing: bi-lattice the lattice f.c.c.=

-complex,

Fullerenes: 1985 (Kroto, Curl, Smalley): trunc. icosahedron, soccerball, Nobel prize 1996. : 1990. But Ozawa 1984. Cheap 1991 (Iijima): nanotubes. Full. synthesized by now: , , , , , Fullerene alloys, stereo organic chemistry Carbon: semi-metal
!# !# # ! & !# &

& d

p.21/92

Allotropes of carbon
Diamond: cryst.tetrahedral, electro-isolating, hard, transparent. Rarely carats, unique : . M.Kuchner: diamond planets? Cullinan
YX   t Y

Graphite: cryst.hexagonal, soft, opaque, el. conducting Fullerenes: 1985, spherical Nanotubes: 1991, cylindrical Carbon nanofoam: 1997, clusters of about atoms linked in graphite-like sheets with some -gons (negatively curved), ferromagnetic Amorphous carbon (no long-range pattern): synthetic; coal and soot are almost such White graphite (chaoite): cryst.hexagonal; 1968, in shock-fused graphite from Ries crater, Bavaria
`

p.22/92

Allotropes of carbon
Carbon(VI): cr.hex.??; 1972, obtained with chaoite Supersized carbon: 2005, 5-6 nm supermolecules (benzene rings "atoms", carbon chains "bonds") Hexagonal diamond (lonsdaleite): cryst.hex., very rare; 1967, in shock-fused graphite from several meteorites ANDR (aggregated diamond nanorods): 2005, Bayreuth University; hardest known substance

graphite:

diamond:

p.22/92

Exohedral Fullerene La rst Endohedral Fullerene compound (rst with a single compound hydroxy group attached)
& "

0 ( y

p.23/92

A quasicrystalline cluster (H. Terrones)

In silico: from

and (dark); cf. 2 atoms in quasicrystals

#

!#

H I

p.24/92


Outer shell

y
# Metallic cluster

Total # of atoms

Palladium icosahedral -cluster

Onion-like metallic clusters

Icosahedral and cuboctahedral metallic clusters

p.25/92

Nanotubes and Nanotechnology

Helical graphite Deformed graphite tube Nested tubes (concentric cylinders) of rolled graphite; use(?): for composites and nanowires

p.26/92

Other possible applications

Superconductors: alcali-doped fullerene compounds at ,. . . , at but still too low transition
#" !   I  !#  #" !

HIV-1: Protease Inhibitor since derivatives of are highly hydrophobic and have large size and stability; 2003: drug design based on antioxydant property of fullerenes (they soak cell-damaging free radicals) Carbon nanotubes ? superstrong materials ? nanowires ! already soon: sharper scanning microscope But nanotubes are too expensive at present

p.27/92

Chemical context
Crystals: from basic units by symm. operations, incl. translations, excl. order rotations (cryst. restriction). Units: from few (inorganic crystals) to thousands (proteins) atoms Other very symmetric mineral structures: quasicrystals, fullerenes and like, icosahedral packings (no translations but rotations of order ) Fullerene-type polyhedral structures (polyhedra, nanotubes, cones, saddles, . . . ) were rst observed with carbon. But also inorganic ones: boron nitrides, tungsten, disulphide, allumosilicates and, possibly, uorides and chlorides.
X X

p.28/92

Stability
Minimal total energy: -energy and
 $ $

the strain in the -system. Hckel theory of -electronic structure: every eigenvalue of the adjacency matrix of the graph corresponds to an orbital of energy . : Coulomb parameter (same for all sites) : resonance parameter (same for all bonds) The best -structure: same # of positive and negative eigenvalues
$

p.29/92

Skyrmions and fullerenes

(Sutcliffe et al.): any minimal energy Skyrmion (baryonic density isosurface for single soliton solution) with baryonic number (the is a fullerene . number of nucleons) Conjecture: there exist icosahedral minimal energy Skyrmion for any with integers , (not any icosahedral Skyrmion has minimal energy).
Conjecture

X

&

'

Skyrme model (1962) is a Lagrangian approximating (a gauge theory based on group). Skyrmions are special topological solitons used to model baryons.
  b

c G

p.30/92

Life fractions
life: DNA and RNA (cells)

-life: DNA or RNA (cell parasites: viruses)

naked RNA, no protein (satellite viruses, viroids) DNA, no protein (plasmids, nanotech, junk DNA, ...) no life: no DNA, nor RNA (only proteins, incl. prions)
Atom size 0.2-0.3 DNA Cryo-EM Prion Viruses

sX

nm B-19, HIV, Mimi Virion: protein capsid (or env.spikes) icosadeltahedron , (triangulation number)

# W e I 

p.31/92

Digression on viruses
life -life . . . viroids . . . non-life DNA and RNA DNA or RNA neither DNA, nor RNA Cells Viruses Proteins, incl. prions Seen in 1930 (electronic microscope): tobacco mosaic. of seawater has million viruses; all seagoing viruses million tons (more 20 x weight of all whales). Origin: ancestors or vestiges of cells, or gene mutation? Or, evolved in parallel with cellular forms from self-replicating molecules in prebiotic RNA world" Virus: virion, then (rarely) cell parasite Virion: capsid (protein coat), capsomers structure Number of protein subunits is , but EM resolves only clusters-capsomers ( vertices of ), including pentamers ( -valent vertices) at minimal distance
 s ` s  I # W e I X

p.32/92

1954, Watson and Crick conjectured: symmetry cylindrical and icosahedral: dual , fullerenes
$

AIDS: icosahedral, but ? Plant viruses? Chirality? nm: typical molecule; Parvovirus - , Mimivirus; 150 minimal cell (bacterium Micoplasma genitalium); 90 smallest feature of computer chip (= diam. HIV-1).
t

Main defense of multi-cellular organism, sexual reproduction, is not effective (in cost, risk, speed) but arising mutations give some chances against viruses.

 

p.33/92

i f i  f i f i  f i ~ f i } f i w f i l f i | f i | f i l f i l f hhf ig w k k m k m k m k m k l k | k l k m k l k m k jk
? Fullerene

xg t to yo g up p qf r q f k k to v ot p to i to gpp ot xy gp p gp q f ugp r r r r q f sq f sq f sq f k k k k k

xp yto q fk

xp yto z t t n up q f p qo f qof gp r qo f r k r s k k k

rotavirus

HIV-1

adenovirus

Gemini virus

Capsids of viruses

hepatitis B, Bacteriophage

human wart virus

turnip yellow mosaic virus

Virus capsid (protein coat)

HK97, rabbit papilloma virus

herpes virus, varicella

infectious canine hepatitis virus, HTLV-1

Tipula virus

iridovirus

p.34/92

Some viruses

Icosadeltahedron , the icosahedral structure of the HTLV-1

# W $ %

Simulated adenovirus with its spikes -dodecahedron

P##

 P## W $ %

% 

p.35/92

IV. Some fullerene-like 3-valent maps

p.36/92

Mathematical chemistry
use following fullerene-like -valent maps:

Polyhedra for , or ( , , ) Aulonia hexagona (E. Haeckel 1887): plankton skeleton

t ` t  P  ! S 

Azulenoids azulen

on torus

; so,

is an isomer

of naftalen

  


 

p.37/92

Schwarzits
  

Schwarzits on minimal surfaces of constant negative curvature ( ). We consider case :

  # ! " ! $ #

Schwarz

-surface
#

Schwarz

-surface

We take a -valent genus -map and cut it along zigzags

# & #

and paste it to form

- or

-surface.

We need non-intersecting zigzags. For example, Klein-map has types of such triples.

p.38/92

-surfaces

4 1 () 0

: putative carbon, 1992, (Vanderbilt-Tersoff)

)3  ( 2

'

0 1 (5

Bonjour
7  (

Bonjour
$ 3 & 8 6 86 2 (9 @ 2 7

$ 

$ 



Unit cell of



0 ()

3

&

63

- Klein regular map

&

0 1 ()

p.39/92

0 $ )  2  2 )

Bonjour
0 1 ()

Unit cell of
 ( 

,
 0 1 () 5  $   )A%  $ $  $ 4  45  ( 7 8 6 86 4 2 ( @ 2 7 0 1 ()  2 0 1 (5  6 # 2

$ 5

'

:
 $

-surfaces

#



- Dyck regular map

Bonjour

p.40/92

D PQ H I CE 1 BC D PQ I EF H R R PQ E G H T U E H UC P PW WT BX F F Y V T B V EF PS

,
H

Unit cell of
PQ

,
U E

More

H C

:
G H

'

-surfaces

Bonjour

- Dyck regular map

D B I EF
p.41/92

Polycycles (with Dutour and Shtogrin)

0  ( 8

A nite -polycycle is a plane -connected nite graph, such that : all interior faces are (combinatorial) -gons, all interior vertices are of degree ,
8 0 ` 8  

all boundary vertices are of degree in

0 ( & #2

-polycycle

p.42/92

Examples of
@ # d e@ # d @

-polycycles
( , , )
h h i p% q r s% t s% $  0 (  u

;
& 7 % g

b c#

0 #

 d e@

0 

 d @

b

Continuum for any . But proper -polycycles, i.e., partial subgraphs of Dodecahedron : polyhexes=benzenoids
$ 3  0 ( & #2 A #  "

Theorem

(i) Planar graphs admit at most one realization as -polycycle (ii) any unproper -polycycle is a -helicene
#2  0 ( #2 wv@ #2

 0 (

(homomorphism into the plane tiling

'

by regular -gons)


p.43/92

Icosahedral fulleroids (with Delgado)

  (

-valent polyhedra with

and symmetry

or

orbit size # of orbits any -gonal face any

3 5 i   i  2 2  () 63 5  ( 0 5 )

5#

 (

with with

i h b

")

 ( 

i b

$ 3

")

&

&

&

p.44/92

i k } i { utf k ml n m q q y r y zr x y zr  vq x q wq pq q x y zr l xm wq x | q x y zr x vq xq n n x n | m q xm q n xm pq m pq x pq x n w n x xm xm x n  wq x wm  |m wm xm w pq x x

i k f g i k~ } k

i k f

i k f

i kk f

i s utf k ml n v wq m q q x y zr

i g jhf k ml n ol pq m pq m e d

i k f m m

-fulleroids
of Sym
r

p.45/92

First

-sphere icosahedral

' (

y 2

%(

y2

$ 3

p.46/92

Second

-sphere icosahedral

y 2

'

$ 3

p.47/92

-sphere icosahedral

'

%(

ty

$ 

p.48/92

-sphere icosahedral

'

( ty

%(

$ )

54

p.49/92

' ty 2 $  ( ty 2 2  $ ) 5 ( ( 

-sphere icosahedral

p.50/92

' 7 ( ty 2 $ @ ty 2 2  $ 5  ( ( 

-sphere icosahedral

p.51/92

 ( ty 2 $ %  ( 7 ( y 2 2  $ 3 & 5

'

-sphere icosahedral

p.52/92

'  ty 2 $ 7  ( ty 2 2  $ 3 5 ( ( 

-sphere icosahedral

p.53/92

All seven -isohedral

-planes
#

A -plane is a -valent plane tiling by - and gons. A plane tiling is 2homohedral if its faces form 2 orbits under group of combinatorial automorphisms . It is 2-isohedral if, moreover, its symmetry group is isomorphic to .
& h h

0 ( & 2

'

p.54/92

V. -dimensional fullerenes (with Shtogrin)

p.55/92

-fullerenes
(

-dim. simple ( -valent) manifold (loc. homeomorphic to ) compact connected, any -face is - or -gon. So, any -face, , is an polytopal -fullerene. So, or only since (Kalai, 1990) any -polytope has a - or -gonal -face.
d  )  & # # 0$  0 #  & 

All nite -fullerenes : plane - and space -fullerenes

h  #  )  5

Finite -fullerenes; constructions: (tubes of -cells) and (coronas) Ination-decoration method (construction Quotient fullerenes; polyhexes -fullerenes from
& & # # #

&

p.56/92

All nite -fullerenes

Euler formula


d

6

! 2

But

if oriented if not
7 !

()

Any -manifold is homeomorphic to with (genus) handles (cyl.) if oriented or cross-caps (Mbius) if not.
 ) ( 2 ( 2 (

"5

g surface
 

7 7 7 )  5 5 $ ) 3 01" 5

-fullerene usual sph. polyhex

polyhex

elliptic

0 $ ) 

"9

"A

0 "5

p.57/92

Smallest non-spherical nite -fullerenes

Toric fullerene

Klein bottle fullerene

projective fullerene

p.58/92

Non-spherical nite -fullerenes

Elliptic fullerenes are antipodal quotients of centrally symmetric spherical fullerenes, i.e. with symmetry , , , , , , , . So, . Smallest CS fullerenes , ,
( 7 ty 5 7   @   ( 2 (   2

Toroidal fullerenes have . They are described by S.Negami in terms of parameters. Klein bottle fullerenes have . They are obtained by quotient of toroidal ones by a xed-point free involution reversing the orientation.
$ 5  # $ 5 

 ( 

sy

 @

2

p.59/92

Plane fullerenes (innite -fullerenes)

Plane fullerene: a -valent tiling of - and -gons.
3 # 7

by (combinatorial) . .
$ p $ 3  #

&

If

, then it is the graphite

$ 5

@v

Theorem:

plane fullerenes have

$ 3



and



A.D. Alexandrov (1958): any metric on of non-negative curvature can be realized as a metric of convex surface on . Consider plane metric such that all faces became regular in it. Its curvature is on all interior points (faces, edges) and on vertices. A convex surface is at most half .
@ 7 "5 5

p.60/92

Space -fullerenes (innite -fullerene)

Frank-Kasper polyhedra (isolated-hexagon fullerenes): , , ,
( 2  (   2 ( 2 7 y 7  7    @ @ @ 7 (   2

Space fullerene: a -valent tiling of by them Space 4-fullerene: a -valent tiling of by any fullerenes They occur in: ordered tetrahedrally closed-packed phases of metallic alloys with cells being atoms. There are t.c.p. alloys (in addition to all quasicrystals) soap froths (foams, liquid crystals) hypothetical silicate (or zeolite) if vertices are (or ) and cells tetrahedra better solution to the Kelvin problem
 5 h 7

p.61/92

Main examples of space fullerenes

Also in clathrate ice-like hydrates: vertices are , hydrogen bonds, cells are sites of solutes ( , , . . . ).
7

t.c.p.
k f

alloys

exp. clathrate I: II:

 l

1 2 3 5 7 6 15

3 0 2 8 2 5 2 6 9

0 0 2 2 2 2 2 6 0

III:

(Bergman)

49 49

(Sadoc-Mossieri)

0 1 0 0 2 1 6 20 26

p.62/92

Frank-Kasper polyhedra and

Mean face-size of all known space fullerenes is in . Closer to impossible ( -cell on -sphere) means energetically competitive with diamond.
( 2 (  0  h & 2a & ) & 6 6  5

p.63/92

New space -fullerene (with Shtogrin)

The only known which is not by , By , and its elongation so, smallest known mean face-size
7 7 7  @

, and in ratio
 7 9 b ( &)

 ( 

&5A

All space -fullerenes with at most kinds of vertices: , , , and this one (Delgado, OKeeffe; 3,3,5,7,7).
  9

 h

 2

p.64/92

Kelvin problem
Partition
@

into cells of equal volume and minimal surface.

Kelvins partition

Weaire, Phelans partition

Weaire-Phelan partition (A15) is 0.3% better than Kelvins, best is unknown In dimension , best is honeycomb (Ferguson, Hales)


p.65/92

Projection of 120-cell in 3-space (G.Hart)

#2

vertices,

dodecahedral facets,

 $ ) 5

5

&

p.66/92

Regular (convex) polytopes

A regular polytope is a polytope, whose symmetry group acts transitively on its set of ags. The list consists of: regular polytope group regular polygon Icosahedron and Dodecahedron -cell and -cell -cell (hypercube) and (cross-polytope) (simplex) =
i % i ( i i   )  5 3 5 5 @ 7 y ( 2 $ i h

There are regular tilings of Euclidean plane: , and an innity of regular tilings is shortened notation for
8 # 3 #

6)

of hyperbolic plane.

Here

 ( 2

8

7 3 #

and

p.67/92

-dim. regular tilings and honeycombs

Columns and rows indicate vertex gures and facets, resp. Blue are elliptic (spheric), red are parabolic (Euclidean). 2 2 3 4 5 6 7 m

3 23
@ @

4 24
@ 7

5 25 Ico 45 55 65 75 m5
& 3

6 26
#

7 27 37 47 57 67 77 m7
9

m 2m 3m 4m 5m 6m 7m mm


22 32 42 52 62 72 m2


#  & 3 9

Do 63 73 m3
#

54 64 74 m4


46 56 66 76 m6
3

p.68/92

-dim. regular tilings and honeycombs

Do Ico 600344

63

36 336

24435* 353 120443* 534 535

436*

Ico Do

536 444* 363

36 63 633* 634* 635*

636*

p.69/92

-dim. regular tilings and honeycombs

24120600w w w w  w  w w 

24600120

5333

5334
w  w 

5335

p.70/92

Finite -fullerenes
for any nite closed -manifold, no useful equivalent of Euler formula.
d 6 7d @ $ 5 $  )  5  #

Prominent -fullerene: -cell. Conjecture: it is unique equifacetted -fullerene ( )

 7 $ (

A. Pasini: there is no -fullerene facetted with ( -football)

  7  2 (  (   7 7 @ 2 7

Few types of putative facets: , (hexagonal barrel), , , (elongated Dodecahedron), , (elongated )

( 2  (  @   @ 2 @ 7 7

ty

p.71/92

constructions of nite 4-fullerenes

3-faces are
7 $ 

to

-cell
h 2 (

decoration C( -cell) decoration D( -cell) , , indicates that the construction creates a polytope; otherwise, the obtained fullerene is a -sphere. : tube of -cells : coronas of any simple tiling of or , : any -fullerene decorations
7 7 )  5  53 5 5 7  7 @ )  5 3 )3 5 5 h )  5 7 #   7

, ,

, ,

d #

#5

( @ 

 2

 ( 

")

5

&

(two)

p.72/92

Construction

of polytopal -fullerene

Similarly, tubes of

-cells are obtained in

p.73/92

Ination method
Roughly: nd out in simplicial -polytope (a dual -fullerene ) a suitable large -simplex, containing an integer number of small (fundamental) simplices.
( d ) 2

Constructions

-cell;

, respectively.

$ 

The decoration of comes by barycentric homothety (suitable projection of the large simplex on the new small one) as the orbit of new points under the symmetry group

p.74/92

All known -fullerenes

Exp :
)  )  5

(regular tiling of

by

-cell)
#

&

) & #

Exp : (with -gons also): glue two s on some -cells and delete their interiors. If it is done on only one -cell, it is (so, simply-connected)
3 )  5 # & g @ & #  # # #

Exp : (nite -fullerene): quotient of by its symmetry group; it is a compact -manifold partitioned into a nite number of -cells
)

Exp : glue above Pasini: no polytopal -fullerene exist. All known -fullerenes come from usual spheric fullerenes or from the regular -fullerenes: ,
& & #

=Dodecahedron,
# #

&

&

cell,

, or ,
3 3

=graphite lattice,
3

&

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Quotient -fullerenes
A. Selberg (1960), A. Borel (1963): if a discrete group of motions of a symmetric space has a compact fund. domain, then it has a torsion-free normal subgroup of nite index. So, quotient of a -fullerene by such symmetry group is a nite -fullerene. Exp 1: Poincar dodecahedral space

quotient of -cell (on ) by the binary icosahedral group of order ; so, -vector
)  5 y ) 0 ( & ) 015 3 0 ) 2  5  5 $

It comes also from by gluing of its opposite faces with right-handed rotation
7 @ $ 

()

Quot. of and by

tiling: by


0 ()

7 ( 0  9 0 

0 $  0  6 42



Seifert-Weber space Lbell space

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Polyhexes
Polyhexes on , cylinder, its twist (Mbius surface) and are quotients of graphite by discontinuous and xed-point free group of isometries, generated by resp.:
3 7 # 7

translations,

a translation, a glide reection a translation and a glide reection. The smallest polyhex has : on . The greatest polyhex is (the convex hull of vertices of , realized on a horosphere); it is not compact (i.e. with not compact fundamental domain), but conite (i.e., of nite volume) innite -fullerene.
3 #  # # $ )  7 3

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VI. Some special fullerenes (with Grishukhin)

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All fullerenes with hexagons in ring

; 30

; 32

; 32

; 36

; 40

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All fullerenes with pentagons in ring

; 36

; 44

Y V

; 48

; 44

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All fullerenes with hexagons in

ring

; 32

; 38

; 40

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All fullerenes with pentagons in

ring

; 38

innite family: triples in , , from collapsed

") 5 #

innite family: , , if odd elongations of hexagonal barrel

V V Q I Q F B

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Face-regular fullerenes
A fullerene called if every -gon has exactly -gonal neighbors; it is called if every -gon has exactly -gonal neigbors.
& & 3 3 &

i # of # of
3

2 8

3 4 5 2 1 1 5 7 1

28, 32, All fullerenes, which are

 7 3

&

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All fullerenes, which are

36,

44,

(also

48,

52,

(also

60,

(also

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All fullerenes, which are

40, Bonjour

56, (also

68, Bonjour

68, (also

72,

80,

(also

) 80,

(also



 



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Fullerenes as isom. subgraphs of half-cube

All isometric embeddings (of skeletons), for -fullerenes or their duals, are:
! #     # $   %   ! # " #  ! & ' %   ( )' # $   ! #  "  $ # ! (  % 7 86 5&  % 4 &  9 @$ ! #  ! @ A 7@6 #B $ A @ A 6 ! #    0 1 23 ! # &  5 #  # $ 4 "  ! & C  %  5 E F " #  #& $ " "  ( $ " " " "

- or

Conjecture

(checked for ): all such embeddings, for fullerenes with other symmetry, are:

Also, for graphite lattice (innite fullerene): = and = .

!5 C D 5 E 2 "

& $

 

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VII. Knots and zigzags in fullerenes (with Dutour and Fowler)

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Triply intersecting railroad in

IH G

Q RP

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Tight
T VW

with only simple zigzags

-vector
b

group
Y `X

orbit lengths 6 3,4 3,3,3 10 1,3,6

int. vector
Vc i Vt Vw w Vt Vt Vu Vb

f ge

Vd

q rp

di

Y vX

q yp

ad V V VW h

wx

ad

wx

as

aW

1,2,4,4 12 6,6 15

and
w

p f

V w

Vb V ib

and

V wx 1

Vw Vw 0 3 3 i

Ye

Wi

Conjecture: this list is complete (checked for ). It gives Grnbaum arrangements of plane curves.

Vd

wc

V wx

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First IPR fullerene with self-int. railroad

; realizes projection of Conway knot

& 

&7

2! %

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Parametrizing fullerenes

Idea: the hexagons are of zero curvature, it sufces to give relative positions of faces of non-zero curvature. Goldberg (1937) All of symmetry ( , Goldberg-Coxeter construction .
D 

) are given by , or
4 B d3 & 6

Fowler and al. (1988) All are described in terms of Graver (1999) All parameters.


of symmetry parameters.

D

'

can be encoded by
D

 

integer complex

Thurston (1998) All parameters.

 e

are parametrized by

Sah (1994) Thurstons result implies that the number of is . fullerenes

0

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Intersection of zigzags

For any , there is a fullerene with two zigzags having intersection

0 0

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