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Topic: Molecular geometry

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	Molecular Geometry
		Molecular geometry is the name of the geometry used to describe the shape of a molecule.
		An example of this geometry is CH As we replace bonding pairs with nonbonding pairs the molecular geometry become trigonal pyramidal (three bonding and one nonbonding), bent or angular (two bonding and two nonbonding) and linear (one bonding and three nonbonding).
		An example of this geometry is SF As we replace bonding pairs with nonbonding pairs the molecular geometry changes to square pyramidal(five bonding and one nonbonding) to square planar (four bonding and two nonbonding).
	intro.chem.okstate.edu /1314F00/Lecture/Chapter10/VSEPR.html (1695 words)

	Reference.com/Encyclopedia/Molecular geometry
		Molecular geometry or molecular structure is the three-dimensional arrangement of the atoms that constitute a molecule, inferred from the spectroscopic studies of the compound.
		A defined molecular geometry at equilibrium can only be expected at temperatures close to absolute zero because at higher temperatures the atoms will wobble around.
		The molecular geometry can be described by the positions of these atoms in space, evoking bond lengths of two joined atoms, bond angles of three connected atoms, and torsion angles of three consecutive bonds.
	www.reference.com /browse/wiki/Molecular_geometry (577 words)

	VSEPR: Understanding Shapes of Molecules
		molecular geometry, however, is the result of the presence of the lone-pair on SO which occupies one of the trigonal planar positions.
		For this reason, the molecular geometry of SF is a "see-saw" with equatorial bond angles of slightly less than 120E and axial bond - equatorial angles of slightly less than 90E.
		Below is a summary of all of the possible molecular geometries for molecules belonging to the trigonal bipyramidal family.
	www.csupomona.edu /~egoldstein/121/VSEPR6.HTM (1734 words)

	Computer representation of geometry
		Cartesian coordinates are an efficient representation of molecular geometry for the computer, and have the advantage of including actual spatial orientation of the molecule.
		To fully specify molecular geometry to the computer in cartesian coordinates for a molecule containing N atoms, 3N values must be entered (i.e., X, Y and Z for each atom).
		Molecular modeling systems find the approximate positions of hydrogen atoms based on positions of heavy atoms, and therefore, PDB files processed by the modeling software may have these atoms appended.
	www.ccl.net /cca/documents/molecular-modeling/node4.html (2910 words)

	Molecular Geometry
		Molecular Geometry is the general shape of molecules.
		The shape is governed by how many bonding pairs there are around the central atom, and by how many of those pairs are participating in a bond.
		Molecular Geometry is an important topic for understanding the properties and reactions of chemicals.
	library.thinkquest.org /10429/low/geometry/geometry.htm (496 words)

	Molecular geometry Summary
		Molecular geometry describes and predicts the arrangement of atoms in a molecule.
		In working with organometallic compounds, for example, he placed the metal atom at the center of a geometric figure (such as a cube) and surrounded it with other atoms, ions, and groups of atom at the corners of the figure.
		Molecular geometry or molecular structure is the three dimensional arrangement of the atoms that constitute a molecule, inferred from the spectroscopic studies of the compound.
	www.bookrags.com /Molecular_geometry (2425 words)

	Molecular geometry and the VSEPR theory (Site not responding. Last check: 2007-10-19)
		The optimal geometry of the molecule will be determined by those particular values of the coordinates for which the total energy is a minimum.
		Fortunately, there exists a simple theory for determining molecular geometries at a qualitative level, which is useful for understanding the basic shapes of molecules.
		The basic principle of the VSEPR theory is that molecular geometry can be predicted based on the notion that electron pairs in molecules tend to repel each other and achieve a maximum separation from each other.
	www.nyu.edu /classes/tuckerman/honors.chem/lectures/lecture_7/node7.html (527 words)

	Untitled Document
		Molecular geometry is associated with the chemistry of vision, smell and odors, taste, drug reactions and enzyme controlled reactions to name a few.
		Molecular geometry is associated with the specific orientation of bonding atoms.
		According to VSEPR theory, molecular geometry can be predicted by starting with the electron pair geometry about the central atom and adding atoms to some or all of the electron pairs.
	www.elmhurst.edu /~chm/vchembook/200molecgeom.html (425 words)

	ChemViz Molecular Shapes and VSEPR Theory Lab
		It states that the geometry of a molecule is determined by the repulsion forces of its valence electron pairs.
		Molecular geometry is the molecule's arrangement of atoms in space.
		This is because the electron-pair geometry is concerned with the entire molecule and the molecular geometry is only concerned with the four atoms.
	chemviz.ncsa.uiuc.edu /content/lab-s-shapes.html (584 words)

	Molecular Geometry and Electron Domain Theory (Site not responding. Last check: 2007-10-19)
		This is, as illustrated in subfigure 2.1, the correct geometry of a methane molecule.
		We conclude that molecular geometry is determined by minimizing the mutual repulsion of the valence shell electron pairs.
		The requisite geometry is found, in fact, to be that of an octahedron, in agreement with the observed geometry.
	cnx.org /content/m12594/latest (3576 words)

	Molecular modelling
		This involves optimising molecular geometry to an energy minimum and analysing the final energy in terms of bond length and angle strain, steric effects and van der Waals contributions.
		Similarly, for molecular properties such as stereoelectronic effects, aromaticity, hyperconjugation and frontier orbital interactions which require a knowledge of the electron distribution within the molecule, recourse has to be made to quantum mechanical methods such as molecular orbital theory.
		Since the molecular mechanics approach is capable of calculating ring strain quite accurately, it should in principle be possible to formulate rules for the stability and reactivity of bridgehead hydrocarbons based on such calculations alone.
	www.ch.ic.ac.uk /local/organic/t5.html (3259 words)

	Molecular Geometry
		Molecular Geometry is the overall arrangement of the atoms in a molecule.
		As the numbers of atoms in molecules increases, the concept of molecular geometry is rendered meaningless because of the complexity of the system.
		The bonded atoms in a molecule are responsible for determining the molecular geometry of a system.
	www.bcpl.net /~kdrews/molegeo/molegeo.html (781 words)

	VSEPR, MOLECULAR GEOMETRY
		Molecular Geometry, using Lewis Structures, the VSEPR and Valence Bond Theories
		Molecular Geometry (three dimensional structure) depends on the nature of the central atom (with or without d-orbitals): : the bonding electrons and the lone pairs around it.
		To predict molecular geometry, find the nuclei of the atoms in three dimensional space, after defining the electron pair geometry from eg AX as AX, remember the distortions.
	www.up.ac.za /academic/chem/mol_geom/mol_geometry.htm (313 words)

	Molecular Geometry Importance
		The Molecular Geometry of the compound can be used to help make predictions about crystal structures, dipole moment, reactivity, bond lengths and angles.
		The Molecular Geometry can be used to determine specific symmetry elements present, which in turn can predict IR and Raman bending or stretching modes which can help verify, spectroscopically, the structure of the compound of interest.
		Molecular geometry can also help the scientist visualize reactions of interest, reaction pathways, products or means of improving on the reaction of interest.
	www.newton.dep.anl.gov /askasci/chem03/chem03696.htm (201 words)

	Chemistry : Chapter 7 : Molecular Geometry (Site not responding. Last check: 2007-10-19)
		The geometry of a molecule is determined by arrangement of atoms around the central atom.
		Because molecular geometry is the arrangement of atoms, lone pairs are not included in the molecular geometry.
		They do, however, influence the geometry in the basic arrangement of atoms, since they count as a repelling group and their strong repelling force pushes the bonds closer together than another bond would.
	www.wwnorton.com /chemistry/concepts/chapter7/ch7_3.htm (783 words)

	The Chemical Bond - Molecular Geometry
		One further feature of this theory is that it may be used to predict (or in some cases, rationalize) the observed geometries of molecules By the geometry of a molecule we mean the relative arrangement of the nuclei in three-dimensional space.
		Thus those geometries will be favoured which (i) concentrate the largest amount of charge density in the binding region and thus give the strongest individual bonds, and (ii) keep the nuclei as far apart as possible (consistent with (i)), and hence reduce the nuclear replusions.
		This geometry and number of bonds can be accounted for by assuming the promotion of one 3s and one 3p electron to two of the 3d orbitals on the sulphur atom.
	www.chemistry.mcmaster.ca /esam/Chapter_6/section_4.html (2265 words)

	Geometry in Action: Molecular Modeling
		Many questions in molecular modeling can be understood geometrically in terms of arrangements of spheres in three dimensions.
		Classical molecular modeling has dealt with biological molecules which generally have a tree-like structure, but applications to nanotechnology require dealing with more complicated diamond-like structures; it is unclear to what extent this affects the relevant algorithms.
		Michel Sanner of Scripps studies algorithms for molecular modeling, and published a paper on molecular surface accessability at the 11th ACM Symp.
	www.ics.uci.edu /~eppstein/gina/molmod.html (405 words)

	CHE 11 Lab - Molecular Geometry
		In assembling a molecular model of the kind we are considering it is desirable to proceed in a systematic manner.
		We will illustrate the recommended procedure by developing a model for formaldehyde, CH The best first step in making molecular models and understanding the geometry of molecules is to draw a Lewis diagram.
		The development of a valid Lewis diagram may then serve as the basis for building a ball and stick model and explaining the molecular geometry in terms of both the VSEPR and Valence Bond theories.
	web.centre.edu /che/che11_lab/geometry.htm (729 words)

	Molecular Geometry (Site not responding. Last check: 2007-10-19)
		Molecular Geometry surrounds the molecule's orientation in space.
		Geometry has taught us that two points define a straight line, and that same principle is true for chemistry.
		They have their own "personal space", and their definition of this space will form the framework for their molecular geometry.
	www-personal.umich.edu /~sarhaus/courses/NRE530_F1998/smotyka/molgeo.html (395 words)

	Bent Molecular Geometry
		An example of bent molecular geometry that results from tetrahedral electron pair geometry is H
		The water molecule is bent molecular geometry because the lone electron pairs, although still exerting influence on the shape, are invisible when looking at molecular geometry.
		The molecule is two dimensional and bent as opposed to the beryllium hydride case which was a linear or straight line molecular geometry because it did not have a lone electron pair.
	www.elmhurst.edu /~chm/vchembook/206bent.html (429 words)

	SparkNotes: Organic Molecular Orbitals: Valence Bond Theory
		In order to understand the limitations of valence bond theory, first we must digress to discuss molecular geometry, which is the spatial arrangement of covalent bonds around an atom.
		The tetrahedral geometry of methane is clearly impossible if carbon uses its 2s and 2p orbitals to form the C-H bonds, which should yield bond angles of 90 degrees.
		Under this concept, to accommodate the geometry of molecules, atomic orbitals modify themselves to become hybrid orbitals of the suitable geometry.
	www.sparknotes.com /chemistry/organic1/orbitals/section1.html (966 words)

	Geometry Optimization
		Although some textbooks choose to ignore the length of bonds in their geometry calculations, the bonds also have an effect on the geometry of the molecule.
		The objective of a geometry optimization is to find the point at which the energy is at a minimum because this is where the molecule is most stable and most likely to be found in nature.
		It is, therefore, the purpose of geometry optimizations to locate the minima based on some geometry for the molecule.
	www.shodor.org /chemviz/optimization/teachers/background.html (1045 words)

	Molecular Geometry
		The purpose of this model building project is to help students visualize molecular geometries.
		Use the VSEPR model to determine the geometry of the electron pairs around the central atom.
		Determine the molecular geometry from the positions of the atoms in each molecule.
	www.sonoma.edu /chemistry/chem115A/geometry.html (482 words)

	VSPER
		The molecular structure of molecules may be predicted with surprising accuracy using VSEPR concepts.
		The chief tenet of the theory is that electron groups (either lone pairs or bonding pairs of electrons) will try to maximize the distance between themselves and minimize repulsions between electron pairs.
		Doing so leads to the formation of 5 primary electron group geometries which the molecular structures of the molecules are based on.
	webhost.bridgew.edu /shaefner/general/vsepr.html (262 words)

	Molecular Geometry (Site not responding. Last check: 2007-10-19)
		The properties of a compound are very much determined by the size and shape of its molecules.
		Molecular geometry specifies the positions of the atoms in terms of bond lengths and bond angles.
		We will focus on the molecular shape which depends on bond angles.
	www.chem.uncc.edu /faculty/murphy/1251/slides/C19a/sld001.htm (45 words)

	molecular geometry
		The molecular geometry describes the arrangement of the atoms only and not the lone pairs of electrons.
		If there are no lone pairs in the molecule, then the overall geometry and the molecular geometry are the same.
		If the overall geometry is tetrahedral, then there are three possibilities for the molecular geometry; if it is trigonal planar, there are two possibilities; and if it is linear, the molecular geometry must also be linear.
	www2.pvc.maricopa.edu /tutor/chem/chem130/geometry/geom.html (298 words)

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