Symmetry of the pentacene molecule and classification of electron states studied in the frame of group action on a set

• Autorzy: Piotr Potera , Ireneusz Stefaniuk , Marian Kuźma
• Języki publikacji: EN

Abstrakty

EN

Pentacene have recently become the subject of intense studies due to their physical properties which follow from the states of their outer-shell electrons that are able to take part in molecule bonding. The symmetry of these molecules provides the classification of quantum states according to the group theory method. In this paper, we apply a molecular state-space factorization scheme for the classification of pentacene molecules based on the structure of their electron states.

Słowa kluczowe

EN

Pentacene; symmetry of molecules; quantum states; group theory

• Czasopismo: Open Physics
• Rocznik: 2007
• Tom: 5
• Numer: 2
• Strony: 165-176

Daty

wydano

2007-06-01

online

2007-06-01

Twórcy

autor

Piotr Potera

• Institute of Physics, University of Rzeszów, PL-35310, Rzeszów, Poland,

autor

Ireneusz Stefaniuk

• Institute of Physics, University of Rzeszów, PL-35310, Rzeszów, Poland

autor

Marian Kuźma

• Institute of Physics, University of Rzeszów, PL-35310, Rzeszów, Poland

Bibliografia

• [1] M. Pope and C.E. Swenberg: Electronic Processes in Organic crystals and Polymers, 2nd ed., Oxford University Press, New York, 1999.
• [2] S. Reynolds, J.T. Shepherd, C. Main, J.M. Marshall and J.M. Maud: “A comparative study of photoconductivity and carrier transport in oligomeric films”, J. Non-Cryst. Sol., Vol. 266-269, (2000), pp. 994–998. http://dx.doi.org/10.1016/S0022-3093(99)00891-1[Crossref]
• [3] V.C. Sundar, J. Zaumseil, V. Podzorov, E. Menard, R.L. Willet, T. Someya, M.E. Gershenson and J.A. Rogers: “Elastomeric Transistor Stamps: Reversible Probing of Charge Transport in Organic Crystals”, Science, Vol. 303, (2004), pp. 1644–1646. http://dx.doi.org/10.1126/science.1094196[Crossref]
• [4] M.S. Liao and S. Scheiner: “Electronic structure and bonding in metal phthalocyanines, Metal=Fe, Co, Ni, Cu, Zn, Mg”, J. Chem. Phys., Vol. 114, (2001), pp. 9780–9791. http://dx.doi.org/10.1063/1.1367374[Crossref]
• [5] S. Schreinert and G. Paasch: “Fabrication and analysis of polymer field-effect transistors”, Phys. Status Solidi A, Vol. 201(6), (2004), pp. 1263–1301. http://dx.doi.org/10.1002/pssa.200404335[Crossref]
• [6] Z. Bao, A.J. Livinger and J. Brown: “New Air-Stable n-Channel Organic Thin Film Transistors”, J. Am. Chem. Soc., Vol. 120(1), (1998), pp. 207–208. http://dx.doi.org/10.1021/ja9727629[Crossref]
• [7] M. Vujicic, I.B. Bozovic and F. Herbut: “Construction of symmetry groups of polymer molecules”, J. Phys. A-Math. Gen., Vol. 10, (1977), pp. 1271–1279. http://dx.doi.org/10.1088/0305-4470/10/8/005[Crossref]
• [8] L. Michel: “Symmetry defects and broken symmetry. Configurations Hidden Symmetry”, Rev. Mod. Phys., Vol. 52, (1980), pp. 617–651. http://dx.doi.org/10.1103/RevModPhys.52.617[Crossref]
• [9] C.C. Matthews: Polymorphism and electronic properties of pentacene, Dissertation, Groeningen, 2002.
• [10] J.H. Schon, C. Kloc and B. Batlogg: “Hole transport in pentacene single crystals”, Phys. Rev. B, Vol. 63, (2001), art. 245201.
• [11] T. Lulek: “Classification of symmetric coordinates for point clusters. I. The metod”, Acta Phys. Pol. A, Vol. 57, (1980), pp. 407–414.
• [12] M. Kuzma, I. Kumplowski and T. Lulek: “Classification of symmetric coordinates for point clusters. II. Examples: a regular tetrahedron and a cube”, Acta Phys. Pol. A, Vol. 57, (1980), pp. 415–428.
• [13] M. Labuz, A. Wal, G. Wisz and M. Kuma: “Symmetry and classification of electron states in polyacenes”, J. Phys.: Conference Series, Vol. 30, (2006), pp.325–332. http://dx.doi.org/10.1088/1742-6596/30/1/039[Crossref]
• [14] F.A. Cotton: Chemical Applications of Group Theory, Warsaw, PWN, 1973 (in Polish).
• [15] K. Hummer and C. Ambrosch-Draxl: “Electronic properties of oligoacenes from first principles”, Phys. Rev. B, Vol. 72, (2005), art. 205205.
• [16] Yu.F. Pedash, O.V. Prezhdo, S.I. Kotelevskiy and V.V. Prezhdo: “Spin-orbit coupling and luminescence characteristics of conjugated organic molecules. I. Polyacenes”, J. Mol. Struct. Theochem, Vol. 585, (2002), pp. 49–59. http://dx.doi.org/10.1016/S0166-1280(02)00035-0[Crossref]
• [17] S.J. Etzkorn, W.C. Pirkle, J. Yang, L. Dai and A.J. Epstein: “Book of abstract-March Meeting 2004, (March 22–26, 2004), Palais des Congres deMontreal, Montreal, Quebec, Canada, abstract #J23.012 (oral presentation)”, American Physical Society, Montreal, 2004.
• [18] J. Cornil, J.Ph. Calbert and J.L. Brédas: “Electronic Structure of the pentacene Single crystal: relation to transport properties”, J. Am. Chem. Soc., Vol. 123, (2001), pp. 1250–1251. http://dx.doi.org/10.1021/ja005700i[Crossref]
• [19] G.A. Wijs, C.C. Mattheus, R.A. Groot and T.M. Palstra: “Anisotropy of the mobility of pentacene from frustration”, Synthetic Met., Vol. 139, (2003), pp. 109–114. http://dx.doi.org/10.1016/S0379-6779(03)00020-1[Crossref]
• [20] E.A. Silinsh: Organic Molecular Crystals, their electronic states, Berlin, Springer Verlag, 1980.
• [21] M.L. Tiago, J.E. Northrup and S.G. Louie: “Ab initio calculation of the electronic and optical properties of solid pentacene”, Phys. Rev. B, Vol. 67, (2003), art. 115212.
• [22] R.G. Endres, C.Y. Fong, L.H. Yang, Ch. Wöll and G. Witte: “Structural and electronic properties of pentacene molecule and molecular pentacene solid”, Comp. Mats Sci., Vol. 29, (2004), pp. 362–370. http://dx.doi.org/10.1016/j.commatsci.2003.09.006[Crossref]
• [23] W.B. Byers: “On the Factorization of Secular Equations by Group Theory”, In: Perlov Löwdin(Ed.): Quantum Theory of Atoms, Molecules, and the Solid State A Tribute to John C. Slater, Academic Press, New York, 1966, pp. 123–133.

Identyfikatory

DOI

10.2478/s11534-007-0007-8