Computing Vertex PI, Omega and Sadhana Polynomials of F 12(2n+1) Fullerenes

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1 Iraia Joural of Mathematical Chemistry, Vol. 1, No. 1, April 010, pp IJMC Computig Vertex PI, Omega ad Sadhaa Polyomials of F 1(+1) Fullerees MODJTABA GHORBANI Departmet of Mathematics, Faculty of Sciece, Shahid Rajaee Teacher Traiig Uiversity, Tehra, , I R. Ira (Received Jauary 10, 010) ABSTRACT The topological idex of a graph G is a umeric quatity related to G which is ivariat uder automorphisms of G. The vertex PI polyomial is defied as PI v (G) euv u (e) v (e). The Omega polyomial (G,x) for coutig qoc strips i G is defied as (G,x) = c m(g,c)x c with m(g,c) beig the umber of strips of legth c. I this paper, a ew ifiite class of fullerees is costructed. The vertex PI, omega ad Sadhaa polyomials of this class of fullerees are computed for the first time. Keywords: Fulleree, vertex PI polyomial, Omega polyomial, Sadhaa polyomial. 1. INTRODUCTION Fullerees are molecules i the form of cage-like polyhedra, cosistig solely of carbo atoms. Fullerees F ca be draw for = 0 ad for all eve 4. They have carbo atoms, 3/ bods, 1 petagoal ad /-10 hexagoal faces. The most importat member of the family of fullerees is C 60 [1,]. Let be the class of fiite graphs. A topological idex is a fuctio Top from ito real umbers with this property that Top(G) = Top(H), if G ad H are isomorphic. Let G = (V,E) be a coected bipartite graph with the vertex set V = V(G) ad the edge set E = E(G), without loops ad multiple edges. The umber of vertices of G whose distace to the vertex u is smaller tha the distace to the vertex v is deoted by u (e). Aalogously, v (e) is the umber of vertices of G whose distace to the vertex v is smaller tha u. The vertex PI idex is a topological idex which is itroduced i [3]. It is defied as the sum of [ u (e) + v (e)], over all edges of a graph G. Let G be a arbitrary graph. Two edges e = uv ad f = xy of G are called codistat (briefly: e co f ) if they obey the

2 106 MODJTABA GHORBANI topologically parallel edges relatio. For some edges of a coected graph G there are the followig relatios satisfied [4,5]: e co e e co f f co e e co f, f co h e co h though the last relatio is ot always valid. Set C(e):= {f E(G) f co e}. If the relatio co is trasitive o C(e) the C(e) is called a orthogoal cut oc of the graph G. The graph G is called co-graph if ad oly if the edge set E(G) is the uio of disjoit orthogoal cuts. Let m(g,c) be the umber of qoc strips of legth c (i.e., the umber of cut-off edges) i the graph G, for the sake of simplicity, m(g,c) will hereafter be writte as m. Three coutig polyomials have bee defied [6-8] o the groud of qoc strips: c c ec (G, x) c m x, (G, x) c m c x ad (G, x) c m c x. (G, x) ad (G, x) polyomials cout equidistat edges i G while (G, x), o-equidistat edges. I a coutig polyomial, the first derivative (i x=1) defies the type of property which is couted; for the three polyomials they are: (G,1) c m.c E(G), (G,1) c m.c ad c (G,1) m.c.(e c). If G is bipartite, the a qoc starts ad eds out of G ad so (G, 1) = r /, i which r is the umber of edges i out of G. The Sadhaa idex Sd(G) for coutig qoc strips i G was defied by Khadikar et. al. [9,10] as Sd(G) cm(g,c)( E(G) c), where m(g,c) is the umber of strips of legth c. E c We ow defie the Sadhaa polyomial of a graph G as Sd(G, x) c m(g,c) x. By defiitio of Omega polyomial, oe ca obtai the Sadhaa polyomial by replacig x c with x E -c i omega polyomial. The the Sadhaa idex will be the first derivative of Sd(G, x) evaluated at x = 1. Herei, our otatio is stadard ad take from the stadard book of graph theory [11-17]. Example 1. Let C deotes the cycle of legth. x ( C, x ) x x ad Sd ( C, x ). 1 x Example. Suppose K deotes the complete graph o vertices. The we have:

3 Vertex PI, Omega ad Sadhaa Polyomials of F 1(+1) Fullerees 107 x x 1 ( ) ( K, x ) 1 x ad ( ) 1 ( Sd ( K, ) ) x x x. ( 1)( )/ x Example 3. Let T be a tree o vertices. We kow that E ( T ) 1. So, ( T, x ) ( T, x ) ( 1) x, Sd ( T, x ) ( T, x ) ( 1) x.. MAIN RESULTS AND DISCUSSION The aim of this sectio is to compute the coutig polyomials of equidistat (Omega, Sadhaa ad Theta polyomials) of a ifiite family F 1(+1) of fullerees with 1(+1) carbo atoms ad bods (the graph F 1(+1), Figure 1 is = 4). Theorem 4. The omega polyomial of fulleree graph F 1(+1) for is as follows: 1(+1) Ω(F, x ) 1x 1x 6x 3x. Proof. By figure 1, there are four distict cases of qoc strips. We deote the correspodig edges by f 1, f, f 3 ad f 4. By the table 1 proof is completed. Edge #Co distace Number of edges f f - 1 f f Table 1. The Number of Equidistat Edges. Corollary 5. The Sadhaa polyomial of fulleree graph F 1(+1) is as follows: 1(+1) Sd(F, x) 1x 1x 6x 3x. Now, we are ready to compute the vertex PI polyomial of fulleree graph F 1(+1). It is well-kow fact that a acyclic graph T does ot have cycles ad so u (e G) + v (e G) = V(T). Thus PI v (T) = V(T). E(T). Sice a fulleree graph F has 1 petagoal faces, PI v (F) < V(F). E(F). Let G be a coected graph. The PI v polyomials of G are defied as PI v (G;x) u (e G) v (e G) '.Obviously PI (G,1) PI (G) ad PI v (G,1) = euve(g) x v v

4 108 MODJTABA GHORBANI E(G). Defie N(e) = V ( u (e) + v (e)). The PI v (G) = [ V N(e)] V E N(e ad we have: e uv euv ) (e) (e) euve(g) euve(g) V(G) N(e) euve(g) PI (G, x) x u v x v x x. V(G) N(e) f f 1 f 3 f 4 Figure1.The graph of fulleree F 1(+1) for = 4. Example 6. Suppose F 30 deotes the fulleree graph o 30 vertices, see Figure. The PI v (F 30, x) = 10x x + 0x 6 + 5x 30 ad so PI v (F 30 ) = Figure. The Fulleree Graph F 30.

5 Vertex PI, Omega ad Sadhaa Polyomials of F 1(+1) Fullerees 109 Theorem 7. The vertex PI polyomial of fulleree graph F 1(+1) for is as follows: v 1(1) PI (F, x) 4x 1x 1x 6( - 3)x 4x 4x x 4x 4x 6(5 - )x. Proof. From Figures 3, oe ca see that there are te types of edges of fulleree graph F 1(+1). We deote the correspodig edges by e 1, e,,e 10. By table the proof is completed. Edge Number of vertex which are codistace from two eds of edges Num e 1 0 6(5-) e 1 e e e e e (-3) e e e Table. Computig N(e) for Differet Edges. e 5 e 10 e 1 e 4 e 6 e 4 e e 3 e 8 e 7 Figure 3. Types of Edges of Fulleree Graph F 1(+1).

6 110 MODJTABA GHORBANI REFERENCES 1. H. W. Kroto, J. R. Heath, S. C.O Brie, R. F.Curl ad R.E. Smalley, C 60 : Buckmisterfulleree, Nature, 1985, 318, H. W. Kroto, J. E. Fichier ad D. E Cox, The Fulleree, Pergamo Press, New York, M. H. Khalifeh, H. Yousefi-Azari ad A. R. Ashrafi, The first ad secod. Zagreb idices of some graph operatios, Disc. Appl. Math., 009, 157(4), B. E. Saga, Y.-N. Yeh ad P. Zhag, The Wieer polyomial of a graph, It. J. Quatum Chem., 1996, 60, P. E. Joh, A. E. Vizitiu, S. Cigher, ad M. V. Diudea, CI Idex i Tubular Naostructures, MATCH Commu. Math. Comput. Chem., 007, 57, M. V. Diudea, S. Cigher, A. E. Vizitiu, O. Ursu ad P. E. Joh, Omega Polyomial i Tubular Naostructures, Croat. Chem. Acta, 006, 79, A. E. Vizitiu, S. Cigher, M. V. Diudea ad M. S. Florescu, Omega polyomial i ((4,8)3) tubular aostructures, MATCH Commu. Math. Comput. Chem., 007, 57, M.V. Diudea, Pheyleic ad aphthyleic tori, Fullerees, Naotubes, ad Carbo Naostructures, 00, 10, P. V. Khadikar, S. Joshi, A. V. Bajaj ad D. Madloi, Correlatios betwee the bezee character of acees or helicees ad simple molecular descriptors, Bioorg. Med.Chem. Lett., 004, 14, P. V. Khadikar, V. K. Agrawal ad S. Karmarkar, A Novel PI Idex ad its Applicatios, Bioorg. Med. Chem., 00, 10, N. Triajstic, Chemical Graph Theory, CRC Press, Boca Rato, FL, A. R. Ashrafi, M. Ghorbai ad M. Jalali, Computig sadhaa polyomial of Vpheyleic aotubes ad aotori, Idia J. Chem., 008, 47A, A. R. Ashrafi, M. Jalali, M. Ghorbai ad M. V. Diudea, Computig PI ad Omega Polyomials of a Ifiite Family of Fullerees, MATCH Commu. Math. Comput. Chem., 008, 60, M. Ghorbai ad A. R. Ashrafi, Coutig the umber of hetero fullerees, J. Comput. Theor. Naosci., 006, 3, A. R. Ashrafi, M. Ghorbai ad M. Jalali, Detour matrix ad detour idex of some aotubes, Dig. J. Naomat. Bios., 008, 3(4), A. R. Ashrafi, M. Jalali ad M. Ghorbai, A Note o Markaracter Tables of Fiite Groups, MATCH Commu. Math. Comput. Chem., 008, 60(3), M. Ghorbai ad M. Jalali, The Vertex PI, Szeged ad Omega Polyomials of Carbo Naocoes CNC 4 [], MATCH Commu. Math. Comput. Chem., 009, 6,

Computing Vertex PI, Omega and Sadhana Polynomials of F 12(2n+1) Fullerenes

Computing Vertex PI, Omega and Sadhana Polynomials of F 12(2n+1) Fullerenes Iraia Joural of Mathematical Chemistry, Vol. 1, No. 1, April 010, pp. 105 110 IJMC Computig Vertex PI, Omega ad Sadhaa Polyomials of F 1(+1) Fullerees MODJTABA GHORBANI Departmet of Mathematics, Faculty

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