VSEPR Theory. Shapes of Molecules. Molecular Structure or Molecular Geometry
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1 VSEPR Theory
2 VSEPR Theory Shapes of Molecules Molecular Structure or Molecular Geometry The 3-dimensional arrangement of the atoms that make-up a molecule. Determines several properties of a substance, including: reactivity, polarity, phase of matter, color, magnetism, and biological activity. The chemical formula has no direct relationship with the shape of the molecule.
3 VSEPR Theory Shapes of Molecules Molecular Structure or Molecular Geometry The 3-dimensional shapes of molecules can be predicted by their Lewis structures. Valence-shell electron pair repulsion (VSEPR) model or electron domain (ED) model: Used in predicting the shapes. The electron pairs occupy a certain domain. They move as far apart as possible. Lone pairs occupy additional domains, contributing significantly to the repulsion and shape.
4 VSEPR Theory Terms and Definitions Bonding Pairs (AX) Electron pairs that are involved in the bonding. Lone Pairs (E) aka non-bonding pairs or unshared pairs Electrons that are not involved in the bonding. They tend to occupy a larger domain. Electron Domains (ED) Total number of pairs found in the molecule that contribute to its shape.
5 VSEPR Molecular Shape Multiple covalent bonds around the same atom determine the shape Negative e - pairs (same charge) repel each other Repulsions push the pairs as far apart as possible Bond Angle: Angle formed by any two terminal (outside) atoms and a central atom Caused by the repulsion of shared electron pairs.
6 Hybridization What s a hybrid? Combining two of the same type of object and contains characteristics of both Occurs to orbitals during bonding Orbital hybridization Process in which atomic orbitals are mixed to form new hybrid orbitals Each hybrid orbital contains one electron that it can share with another atom Carbon is most common atom to undergo hybridization Four hybrid orbitals from 1 s and 3 p orbitals Hybrid = sp 3 orbital
7 Orbital Hybridization Atomic orbitals such as s and p are not well suited for overlapping and allowing two atoms to share a pair of electrons The best location of shared pair is directly between two atoms e - pair spends little time in best location With overlap of two s-orbital With overlap of two p-orbitals
8 Orbital Hybridization Hybrid orbitals (cross of atomic orbitals) Shape more suitable for bonding One large lobe and one very small lobe Large lobe oriented towards other nucleus Angles more suitable for bonding Angles predicted from VSEPR
9 Orbital Hybridization Overlap of two s-orbitals Note: shared in this overlap the e- pair would spend most of the time in an unfavorable location GOOD SPOT between both nuclei NOT A GOOD LOCATION- Too far from one nucleus
10 Orbital Hybridization Overlap of two p-orbitals BAD location far from other nucleus One atom & its p-orbital GOOD SPOT between both nuclei The other atom & its p-orbital BAD location far from other nucleus represents the nucleus
11 Orbital Hybridization Hybrid orbitals yield more favorable shape for overlap Atomic orbitals are not shaped to maximize attractions nor minimize repulsions Hybrid orbital shape One large lobe oriented towards other atom Notice the difference in this shape compared to p-orbital shape
12 Orbital Hybridization Hybrid orbitals create more favorable angles for overlap, too. Atomic orbitals are not shaped to maximize attractions nor minimize repulsions BUT the angles are also not favorable p-orbitals are oriented at 90 to each other Other angles are required: 180, 120, or 109.5
13 Orbital Hybridization Each e - pair requires a hybrid orbital If two hybrid orbitals required than two atomic orbitals must be hybridized, an s and a p orbital forming two sp orbitals at 180 sp hybrids sp 2 hybrids sp 3 hybrids 2 EP 3 EP 4 EP
14 sp-hybridization
15 sp 2 -Hybridization
16 sp 3 -Hybridization
17 Hybridization Key Points The number of hybrid (molecular) orbitals obtained equals the number of atomic orbitals combined. The type of hybrid orbitals obtained varies with the types of atomic orbitals mixed. Examples: 1 s + 1 p = 2 sp orbitals 1 s + 2 p = 3 sp 2 orbitals 1 s + 3 p = 4 sp 3 orbitals
18 Electron-Pair Geometry vs Molecular Geometry Electron-pair geometry Where are the electron pairs Includes bonding pairs (BP) = shared between 2 atoms nonbonding pairs (NBP) = lone pair Molecular geometry Where are the atoms Includes only the bonding pairs
19 2 Electron Domains (ED) around central atom Two clouds pushed as far apart as possible Greatest angle possible 180 LINEAR shape
20 Linear Bonding Pairs: 2 Lone Pairs: 0 Electron Domains: 2 Bond Angle: 180 Example: CO 2 Image:
21 Linear Carbon Dioxide (CO 2 ) Nitrogen Gas (N 2 )
22 3 Electron Domains (ED) around central atom Three electron clouds pushed as far apart as possible Greatest angle possible = 120 TRIGONAL (3) PLANAR (flat) shape
23 Examples of 3 ED 3 Bonded Pairs + 0 Non-Bonded Pairs 3 ED = Electron Pair Geometry is trigonal planar All locations occupied by atoms, So Molecular Geometry is also trigonal planar 2 Bonded Pairs + 1 Non-Bonded Pair 3 ED = Electron Pair Geometry is trigonal planar Only two bonding pairs One of the locations is only lone pair of e - So molecular geometry is bent
24 Trigonal Planar Bonding Pairs: 3 Lone Pairs: 0 Electron Domains: 3 Bond Angle: 120 Example: BF 3 Image:
25 Trigonal Planar Carbonate Ion (CO 3 2- ) Nitrate Ion (NO 3- )
26 Bent or Angular Bonding Pairs: 2 Lone Pairs: 1 Electron Domains: 3 Bond Angle: 120 (119 ) Example: SO 2 Image:
27 Bent or Angular Nitrite Ion (NO 2- )
28 4 Electron Domains (ED) around central atom Four clouds pushed as far apart as possible Greatest angle no longer possible in two dimensions Requires three-dimensional TETRAHEDRAL shape
29 Examples of 4 ED 4 Bonded Pairs + 0 Non-Bonded Pairs 4 ED: Both Electron Pair Geometry and Molecular Geometry are tetrahedral 3 Bonded Pairs + 1 Non-Bonded Pair 4 ED: Electron Pair Geometry is tetrahedral Molecular Geometry is TRIGONAL PYRAMIDAL No atom at top location 2 Bonded Pairs + 2 Non-Bonded Pairs 4 ED: Electron Pair Geometry is tetrahedral Molecular geometry is BENT No atoms at two locations
30 Tetrahedral Bonding Pairs: 4 Lone Pairs: 0 Electron Domains: 4 Bond Angle: Example: CH 4 Image:
31 Tetrahedral Silicon Tetrachloride (SiCl 4 ) Methane (CH 4 )
32 Trigonal Pyramidal Bonding Pairs: 3 Lone Pairs: 1 Electron Domains: 4 Bond Angle: (107.5 ) Example: NH 3 Image:
33 Trigonal Pyramidal Hydronium Ion (H 3 O + ) Ammonia (NH 3 )
34 Bent or Angular (Ver. 2) Bonding Pairs: 2 Lone Pairs: 2 Electron Domains: 4 Bond Angle: (104.5 ) Example: H 2 O Image:
35 Bent or Angular (Ver. 2) Chlorine Difluoride (ClF 2 )
36 Summary of 4 Electron Domain Shapes
37 Exceptions to Octet Rule Reduced Octet H only forms one bond only one pair of e - Be tends to only form two bonds only two pair of e - B tends to only form three bonds only three pair of e - Expanded Octet Empty d-orbitals can be used to accommodate extra e - Elements in the third row and lower can expand Up to 6 pairs of e - are possible
38 Lewis Structures in Which the Central Atom Exceeds an Octet
39 Summary: Molecular Geometry of Expanded Octets
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