Chapter 3: Transformations Groups, Orbits, and Spaces of Orbits
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Symmetry of Fulleroids Stanislav Jendrol’, František Kardoš
Symmetry of Fulleroids Stanislav Jendrol’, František Kardoš To cite this version: Stanislav Jendrol’, František Kardoš. Symmetry of Fulleroids. Klaus D. Sattler. Handbook of Nanophysics: Clusters and Fullerenes, CRC Press, pp.28-1 - 28-13, 2010, 9781420075557. hal- 00966781 HAL Id: hal-00966781 https://hal.archives-ouvertes.fr/hal-00966781 Submitted on 27 Mar 2014 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Symmetry of Fulleroids Stanislav Jendrol’ and Frantiˇsek Kardoˇs Institute of Mathematics, Faculty of Science, P. J. Saf´arikˇ University, Koˇsice Jesenn´a5, 041 54 Koˇsice, Slovakia +421 908 175 621; +421 904 321 185 [email protected]; [email protected] Contents 1 Symmetry of Fulleroids 2 1.1 Convexpolyhedraandplanargraphs . .... 3 1.2 Polyhedral symmetries and graph automorphisms . ........ 4 1.3 Pointsymmetrygroups. 5 1.4 Localrestrictions ............................... .. 10 1.5 Symmetryoffullerenes . .. 11 1.6 Icosahedralfulleroids . .... 12 1.7 Subgroups of Ih ................................. 15 1.8 Fulleroids with multi-pentagonal faces . ......... 16 1.9 Fulleroids with octahedral, prismatic, or pyramidal symmetry ........ 19 1.10 (5, 7)-fulleroids .................................. 20 1 Chapter 1 Symmetry of Fulleroids One of the important features of the structure of molecules is the presence of symmetry elements. -
Molecular Symmetry
Molecular Symmetry Symmetry helps us understand molecular structure, some chemical properties, and characteristics of physical properties (spectroscopy) – used with group theory to predict vibrational spectra for the identification of molecular shape, and as a tool for understanding electronic structure and bonding. Symmetrical : implies the species possesses a number of indistinguishable configurations. 1 Group Theory : mathematical treatment of symmetry. symmetry operation – an operation performed on an object which leaves it in a configuration that is indistinguishable from, and superimposable on, the original configuration. symmetry elements – the points, lines, or planes to which a symmetry operation is carried out. Element Operation Symbol Identity Identity E Symmetry plane Reflection in the plane σ Inversion center Inversion of a point x,y,z to -x,-y,-z i Proper axis Rotation by (360/n)° Cn 1. Rotation by (360/n)° Improper axis S 2. Reflection in plane perpendicular to rotation axis n Proper axes of rotation (C n) Rotation with respect to a line (axis of rotation). •Cn is a rotation of (360/n)°. •C2 = 180° rotation, C 3 = 120° rotation, C 4 = 90° rotation, C 5 = 72° rotation, C 6 = 60° rotation… •Each rotation brings you to an indistinguishable state from the original. However, rotation by 90° about the same axis does not give back the identical molecule. XeF 4 is square planar. Therefore H 2O does NOT possess It has four different C 2 axes. a C 4 symmetry axis. A C 4 axis out of the page is called the principle axis because it has the largest n . By convention, the principle axis is in the z-direction 2 3 Reflection through a planes of symmetry (mirror plane) If reflection of all parts of a molecule through a plane produced an indistinguishable configuration, the symmetry element is called a mirror plane or plane of symmetry . -
The Cubic Groups
The Cubic Groups Baccalaureate Thesis in Electrical Engineering Author: Supervisor: Sana Zunic Dr. Wolfgang Herfort 0627758 Vienna University of Technology May 13, 2010 Contents 1 Concepts from Algebra 4 1.1 Groups . 4 1.2 Subgroups . 4 1.3 Actions . 5 2 Concepts from Crystallography 6 2.1 Space Groups and their Classification . 6 2.2 Motions in R3 ............................. 8 2.3 Cubic Lattices . 9 2.4 Space Groups with a Cubic Lattice . 10 3 The Octahedral Symmetry Groups 11 3.1 The Elements of O and Oh ..................... 11 3.2 A Presentation of Oh ......................... 14 3.3 The Subgroups of Oh ......................... 14 2 Abstract After introducing basics from (mathematical) crystallography we turn to the description of the octahedral symmetry groups { the symmetry group(s) of a cube. Preface The intention of this account is to provide a description of the octahedral sym- metry groups { symmetry group(s) of the cube. We first give the basic idea (without proofs) of mathematical crystallography, namely that the 219 space groups correspond to the 7 crystal systems. After this we come to describing cubic lattices { such ones that are built from \cubic cells". Finally, among the cubic lattices, we discuss briefly the ones on which O and Oh act. After this we provide lists of the elements and the subgroups of Oh. A presentation of Oh in terms of generators and relations { using the Dynkin diagram B3 is also given. It is our hope that this account is accessible to both { the mathematician and the engineer. The picture on the title page reflects Ha¨uy'sidea of crystal structure [4]. -
Systematics of Atomic Orbital Hybridization of Coordination Polyhedra: Role of F Orbitals
molecules Article Systematics of Atomic Orbital Hybridization of Coordination Polyhedra: Role of f Orbitals R. Bruce King Department of Chemistry, University of Georgia, Athens, GA 30602, USA; [email protected] Academic Editor: Vito Lippolis Received: 4 June 2020; Accepted: 29 June 2020; Published: 8 July 2020 Abstract: The combination of atomic orbitals to form hybrid orbitals of special symmetries can be related to the individual orbital polynomials. Using this approach, 8-orbital cubic hybridization can be shown to be sp3d3f requiring an f orbital, and 12-orbital hexagonal prismatic hybridization can be shown to be sp3d5f2g requiring a g orbital. The twists to convert a cube to a square antiprism and a hexagonal prism to a hexagonal antiprism eliminate the need for the highest nodality orbitals in the resulting hybrids. A trigonal twist of an Oh octahedron into a D3h trigonal prism can involve a gradual change of the pair of d orbitals in the corresponding sp3d2 hybrids. A similar trigonal twist of an Oh cuboctahedron into a D3h anticuboctahedron can likewise involve a gradual change in the three f orbitals in the corresponding sp3d5f3 hybrids. Keywords: coordination polyhedra; hybridization; atomic orbitals; f-block elements 1. Introduction In a series of papers in the 1990s, the author focused on the most favorable coordination polyhedra for sp3dn hybrids, such as those found in transition metal complexes. Such studies included an investigation of distortions from ideal symmetries in relatively symmetrical systems with molecular orbital degeneracies [1] In the ensuing quarter century, interest in actinide chemistry has generated an increasing interest in the involvement of f orbitals in coordination chemistry [2–7]. -
Mathematics of the Rubik's Cube
Mathematics of the Rubik's cube Associate Professor W. D. Joyner Spring Semester, 1996{7 2 \By and large it is uniformly true that in mathematics that there is a time lapse between a mathematical discovery and the moment it becomes useful; and that this lapse can be anything from 30 to 100 years, in some cases even more; and that the whole system seems to function without any direction, without any reference to usefulness, and without any desire to do things which are useful." John von Neumann COLLECTED WORKS, VI, p. 489 For more mathematical quotes, see the first page of each chapter below, [M], [S] or the www page at http://math.furman.edu/~mwoodard/mquot. html 3 \There are some things which cannot be learned quickly, and time, which is all we have, must be paid heavily for their acquiring. They are the very simplest things, and because it takes a man's life to know them the little new that each man gets from life is very costly and the only heritage he has to leave." Ernest Hemingway (From A. E. Hotchner, PAPA HEMMINGWAY, Random House, NY, 1966) 4 Contents 0 Introduction 13 1 Logic and sets 15 1.1 Logic................................ 15 1.1.1 Expressing an everyday sentence symbolically..... 18 1.2 Sets................................ 19 2 Functions, matrices, relations and counting 23 2.1 Functions............................. 23 2.2 Functions on vectors....................... 28 2.2.1 History........................... 28 2.2.2 3 × 3 matrices....................... 29 2.2.3 Matrix multiplication, inverses.............. 30 2.2.4 Muliplication and inverses............... -
Chapter 1 – Symmetry of Molecules – P. 1
Chapter 1 – Symmetry of Molecules – p. 1 - 1. Symmetry of Molecules 1.1 Symmetry Elements · Symmetry operation: Operation that transforms a molecule to an equivalent position and orientation, i.e. after the operation every point of the molecule is coincident with an equivalent point. · Symmetry element: Geometrical entity (line, plane or point) which respect to which one or more symmetry operations can be carried out. In molecules there are only four types of symmetry elements or operations: · Mirror planes: reflection with respect to plane; notation: s · Center of inversion: inversion of all atom positions with respect to inversion center, notation i · Proper axis: Rotation by 2p/n with respect to the axis, notation Cn · Improper axis: Rotation by 2p/n with respect to the axis, followed by reflection with respect to plane, perpendicular to axis, notation Sn Formally, this classification can be further simplified by expressing the inversion i as an improper rotation S2 and the reflection s as an improper rotation S1. Thus, the only symmetry elements in molecules are Cn and Sn. Important: Successive execution of two symmetry operation corresponds to another symmetry operation of the molecule. In order to make this statement a general rule, we require one more symmetry operation, the identity E. (1.1: Symmetry elements in CH4, successive execution of symmetry operations) 1.2. Systematic classification by symmetry groups According to their inherent symmetry elements, molecules can be classified systematically in so called symmetry groups. We use the so-called Schönfliess notation to name the groups, Chapter 1 – Symmetry of Molecules – p. 2 - which is the usual notation for molecules. -
COXETER GROUPS (Unfinished and Comments Are Welcome)
COXETER GROUPS (Unfinished and comments are welcome) Gert Heckman Radboud University Nijmegen [email protected] October 10, 2018 1 2 Contents Preface 4 1 Regular Polytopes 7 1.1 ConvexSets............................ 7 1.2 Examples of Regular Polytopes . 12 1.3 Classification of Regular Polytopes . 16 2 Finite Reflection Groups 21 2.1 NormalizedRootSystems . 21 2.2 The Dihedral Normalized Root System . 24 2.3 TheBasisofSimpleRoots. 25 2.4 The Classification of Elliptic Coxeter Diagrams . 27 2.5 TheCoxeterElement. 35 2.6 A Dihedral Subgroup of W ................... 39 2.7 IntegralRootSystems . 42 2.8 The Poincar´eDodecahedral Space . 46 3 Invariant Theory for Reflection Groups 53 3.1 Polynomial Invariant Theory . 53 3.2 TheChevalleyTheorem . 56 3.3 Exponential Invariant Theory . 60 4 Coxeter Groups 65 4.1 Generators and Relations . 65 4.2 TheTitsTheorem ........................ 69 4.3 The Dual Geometric Representation . 74 4.4 The Classification of Some Coxeter Diagrams . 77 4.5 AffineReflectionGroups. 86 4.6 Crystallography. .. .. .. .. .. .. .. 92 5 Hyperbolic Reflection Groups 97 5.1 HyperbolicSpace......................... 97 5.2 Hyperbolic Coxeter Groups . 100 5.3 Examples of Hyperbolic Coxeter Diagrams . 108 5.4 Hyperbolic reflection groups . 114 5.5 Lorentzian Lattices . 116 3 6 The Leech Lattice 125 6.1 ModularForms ..........................125 6.2 ATheoremofVenkov . 129 6.3 The Classification of Niemeier Lattices . 132 6.4 The Existence of the Leech Lattice . 133 6.5 ATheoremofConway . 135 6.6 TheCoveringRadiusofΛ . 137 6.7 Uniqueness of the Leech Lattice . 140 4 Preface Finite reflection groups are a central subject in mathematics with a long and rich history. The group of symmetries of a regular m-gon in the plane, that is the convex hull in the complex plane of the mth roots of unity, is the dihedral group of order 2m, which is the simplest example of a reflection Dm group. -
Can Every Face of a Polyhedron Have Many Sides ?
Can Every Face of a Polyhedron Have Many Sides ? Branko Grünbaum Dedicated to Joe Malkevitch, an old friend and colleague, who was always partial to polyhedra Abstract. The simple question of the title has many different answers, depending on the kinds of faces we are willing to consider, on the types of polyhedra we admit, and on the symmetries we require. Known results and open problems about this topic are presented. The main classes of objects considered here are the following, listed in increasing generality: Faces: convex n-gons, starshaped n-gons, simple n-gons –– for n ≥ 3. Polyhedra (in Euclidean 3-dimensional space): convex polyhedra, starshaped polyhedra, acoptic polyhedra, polyhedra with selfintersections. Symmetry properties of polyhedra P: Isohedron –– all faces of P in one orbit under the group of symmetries of P; monohedron –– all faces of P are mutually congru- ent; ekahedron –– all faces have of P the same number of sides (eka –– Sanskrit for "one"). If the number of sides is k, we shall use (k)-isohedron, (k)-monohedron, and (k)- ekahedron, as appropriate. We shall first describe the results that either can be found in the literature, or ob- tained by slight modifications of these. Then we shall show how two systematic ap- proaches can be used to obtain results that are better –– although in some cases less visu- ally attractive than the old ones. There are many possible combinations of these classes of faces, polyhedra and symmetries, but considerable reductions in their number are possible; we start with one of these, which is well known even if it is hard to give specific references for precisely the assertion of Theorem 1. -
In Boron Chemistry
Bull. Mater. Sci., Vol. 22, No. 5, August 1999, pp. 863-867. © Indian Academy of Sciences. The ubiquitous icosahedral B12 in boron chemistry E D JEMMIS* and M M BALAKRISHNARAJAN School of Chemistry, University of Hyderabad, Hyderabad500 046. India Abstract. Though boranes exhibit a wide variety of polyhedral structures, all the three polymorpbs of elemental boron essentially contain icosahedral Bn units as the predominant building block in their unit cell. Theoretical and experimental studies on boranes show that the icosuhedral arrangement leads to most stable boranes and borane anions. This paper attempts to explain the phenomenal stability associated with the icosahedral Bn structure. Using fragment molecular orbital theory, the remarkable stability of BI2Ht2~ among closo boranes are explained. The preferential selection icosahedral B12 unit by elemental boron is explained by improvising a contrived B84 sub-unit of the ~-rhombohedron, the most stable polymorph. This also leads to a novel covalent way of stuffing fnilerenes with icosahedral symmetry. Keywords. Boron; polyhedral closo borane dianions; icosahedral B12; ~-rhombohedral polymorph; orbital compatibility. 1. Introduction Elemental boron exists in three different polymorphic forms (Wells 1979). The thermodynamically most stable The chemistry of boron formed a vast discipline by itself [t-rhombohedral form has 105 boron atoms in its unit cell. and helped to alter the concept of structure and bonding The next stable ~-rhombohedral form has 12 boron atoms. radically (Lipscomb 1963). Starting from the famous The meta stable ~-tetragonal form has fifty boron atoms three-centre two-electron bond, many of the structural in its unit cell. The icosahedral BI2 unit is the primary features exhibited by boron compounds (most signifi- building block in all of these polymorphic forms. -
Viral Capsids and Self Assembly Viral Capsids
MAE 545: Lecture 22 (12/10) Viral capsids and self assembly Viral capsids helical symmetry icosahedral symmetry complex symmetry Hepatitis B virus conical shaped capsid proteins are wrapped (spherical caps usually around the viral RNA still icosahedral) (e.g. Tobacco Mosaic Virus) Poxvirus Note: many viruses also HIV have envelope (lipid bilayer) around the capsid 2 Icosahedral capsids Brome mosaic Bacteriophage Cowpea Chlorotic L-A virus Dengue virus virus φ X 174 Mottle virus Tobacco Human Hepatitis Sindbis virus Bacteriophage Necrosis virus B Virus Simian virus HK97 Colors correspond to different proteins. 3 Generating Vectors for the Lattice Structures of Tubular and Conical Viral Capsids 129 number, to form with icosahedral symmetry. The quasi-equivalence is demonstrated in the experiment results reported in [30]. There are also many viruses that have tubular or lozenge-like capsids. Mature HIV-1 cores have cone- shaped capsids [1, 11]. Unlike the icosahedral viral capsids, the structures of tubular and conical capsids are not yet fully understood. There have been models for the lattice structures of tubular and conical capsids, see [17, 21] and references therein. However, there is a aw in the Nguyen model [21], which missed the requirement on the cone height and could result in incomplete cones if the model is inappropriately applied. In this paper, we propose new models for tubular and conical capsids in a unied fashion based on an extension of the Capser-Klug quasi-equivalence theory. The new models are easier than the existing models. When applied to the HIV-1 (5,7)-cone (5 pentagons in the narrow end and 7 pentagons in the broad end), the capsid properties derived from our models show good agreement with published experimental data. -
Finiteness of $ Z $-Classes in Reductive Groups
FINITENESS OF z-CLASSES IN REDUCTIVE GROUPS SHRIPAD M. GARGE. AND ANUPAM SINGH. Abstract. Let k be a perfect field such that for every n there are only finitely many field extensions, up to isomorphism, of k of degree n. If G is a reductive algebraic group defined over k, whose characteristic is very good for G, then we prove that G(k) has only finitely many z-classes. For each perfect field k which does not have the above finiteness property we show that there exist groups G over k such that G(k) has infinitely many z-classes. 1. Introduction Let G be a group. A G-set is a non-empty set X admitting an action of the group G. Two G-sets X and Y are called G-isomorphic if there is a bijection φ : X → Y which commutes with the G-actions on X and Y . If the G-sets X and Y are transitive, say X = Gx and Y = Gy for some x ∈ X and y ∈ Y , then X and Y are G-isomorphic if and only if the stabilizers Gx and Gy of x and y, respectively, in G are conjugate as subgroups of G. One of the most important group actions is the conjugation action of a group G on itself. It partitions the group G into its conjugacy classes which are orbits under this action. However, from the point of view of G-action, it is more natural to partition the group G into sets consisting of conjugacy classes which are G- arXiv:2001.06359v1 [math.GR] 17 Jan 2020 isomorphic to each other. -
Math 3230 Abstract Algebra I Sec 3.7: Conjugacy Classes
Math 3230 Abstract Algebra I Sec 3.7: Conjugacy classes Slides created by M. Macauley, Clemson (Modified by E. Gunawan, UConn) http://egunawan.github.io/algebra Abstract Algebra I Sec 3.7 Conjugacy classes Abstract Algebra I 1 / 13 Conjugation Recall that for H ≤ G, the conjugate subgroup of H by a fixed g 2 G is gHg −1 = fghg −1 j h 2 Hg : Additionally, H is normal iff gHg −1 = H for all g 2 G. We can also fix the element we are conjugating. Given x 2 G, we may ask: \which elements can be written as gxg −1 for some g 2 G?" The set of all such elements in G is called the conjugacy class of x, denoted clG (x). Formally, this is the set −1 clG (x) = fgxg j g 2 Gg : Remarks −1 In any group, clG (e) = feg, because geg = e for any g 2 G. −1 If x and g commute, then gxg = x. Thus, when computing clG (x), we only need to check gxg −1 for those g 2 G that do not commute with x. Moreover, clG (x) = fxg iff x commutes with everything in G. (Why?) Sec 3.7 Conjugacy classes Abstract Algebra I 2 / 13 Conjugacy classes Proposition 1 Conjugacy is an equivalence relation. Proof Reflexive: x = exe−1. Symmetric: x = gyg −1 ) y = g −1xg. −1 −1 −1 Transitive: x = gyg and y = hzh ) x = (gh)z(gh) . Since conjugacy is an equivalence relation, it partitions the group G into equivalence classes (conjugacy classes). Let's compute the conjugacy classes in D4.