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valence bond theory
1. when atoms approach each other for bonding, the atomic orbitals of one atom overlap with the atomic orbitals of the other atom
2. each of the atomic orbitals that overlap should have one electron each with opposite spins
3. after the orbitals overlap. a air of electrons occupy the overlapped region
strength of bond
the strength of the bond depends on the extent of orbital overlap. the greater the orbital overlap, the closer the nuclei are to the bonded electrons, and the stronger the bond
hybridization
certain atomic orbitals inside an atom mix with each other to form a new set of orbitals. the process of orbital mixing is called hybridization and the new set of orbitals formed are called hybrid orbitals
features of hybridization
the number of hybrid orbitals formed is exactly equal to the number of atomic orbitals combined
the hybrid orbitals formed are equivalent in shape and energy
the hybrid orbitals are more effective in forming bonds than unhybridized orbitals
the hybrid orbitals formed orient themselves in 3d space to maximize the distance between them and minimize the repulsions between the electrons
sp hybrid orbital
sp2 hybrid orbital
sp3 hybrid orbital
sp3d hybrid orbital
sp3d2 hybrid orbital
sigma bond
a bond formed when two atomic orbitals combine to form a molecular orbital that is symmetrical around the axis connecting the two atomic nuclei
pi bond
pi bond is than a sigma bond
weaker because the sideways overlap is less effective than the end-to-end overlap
double bond consists of
one sigma bond and one pi bond
triple bond consists of
one sigma bond and two pi bonds
the polarity is measured in , units
dipole moment, debye (D)
for molecules with more than 2 atoms, overall molecular polarity depends on 2 properties
individual bond polarity
shape of the molecule
a molecule is polar if
it contains one or more polar bonds AND the individual bond dipoles do not cancel
boiling point is proportional to intermolecular forces
directly, the stronger the forces the more energy it takes to separate atoms
intermolecular forces
arise from the attraction between molecules with partial charges, or between ions and molecules
intermolecular forces are _ than bonding forces because
weaker because q1 and q2 are low (charges) and r value is large (distance from one molecule to another is larger than one atom to another)
dipole-dipole forces
attractions between oppositely charged regions of polar molecules
greater dipole moment = dipole-dipole forces = _ boiling point
higher, higher
what kind of molecule exhibits dipole-dipole forces
any molecule with a net dipole moment
hydrogen bonding is possible for molecules that have…
a hydrogen atom covalently bonded to a small, highly electronegative atom with lone electron pairs (specifically N, O, or F)
an intermolecular hydrogen bond is the attraction between…
the H atom of one molecule and a lone pair of the N, O, or F atom of another molecule
hydrogen bonds increase
boiling point
H bonds are stronger than
dipole-dipole forces
when atoms are close together, the instantaneous dipole in one atom induces a
dipole in the other
instantaneous dipole
temporary dipole that occurs for a brief moment in time when the electrons of an atom or molecule are distributed asymmetrically
dispersion forces or london forces
arise when an instantaneous dipole in one particle induces a dipole in another, resulting in an attraction between them
exist in all particles, increasing the energy of attraction in all matter
stronger in more polarizable particles
in general larger particles are more and experience __ dispersion forces than smaller ones
polarizable, stronger
polarizability correlates closely with __ for similar particles
molar mass
What couldn't be explained by valence bond theory and lewis dot structures?
the paramagnetic nature of molecular oxygen:
associated with presence of unpaired electrons
VB theory and Lewis dot do not show unpaired electrons between 2 Os
molecular orbital (MO) theory
delocalized electrons
molecular orbitals in molecules similar to atomic orbitals in atoms
when individual atoms combine the atomic orbitals on the bonding atoms combine to form molecular orbitals
the molecular orbitals formed are spread out over the entire molecule
Linear Combination of Atomic Orbitals (LCAO)
The mathematical process of combining atomic orbitals to generate molecular orbitals
combination of atomic orbitals to form molecular orbitals can be described as
combination of atomic wave functions to form a molecular wave function
constructive interference
Ψa + Ψb = Ψab (bonding molecular orbital)
destructive interference
Ψa - Ψb = Ψab*
electron present inside bonding MO has ___ compared to electron present in atomic orbital where it is attracted by only one nucleus
lower energy
electrons in the antibonding molecular orbital are
excluded from the region between the nuclei
electrons in the antibonding molecular orbital __ the molecule
destabilize because they repel each other more than they attract the nuclei
energy between atomic orbital and bonding MO =
energy between atomic orbital and antibonding MO
how do we fill MOs
with the same rules as atomic orbitals:
filled in order of increasing energy (Aufbau principle) 2
MO can hole a maximum of 2 eletrons with opposite spins (Pauli exclusion principle)
degenerate orbitals are half-filled, with spins parallel, before pairing spins (Hund's rule)
electrons in the antibonding MO have more energy because
because of node between nuclei, zero electron density there
lack of electron density between the nuclei results in stronger repulsion between the nuclei, as the electrons are not there to shield them from each other, which destabilizes the bond and raises energy
as number of electrons in a bonding MO increases what else increases?
stability of the molecule. vice versea for electrons in antibonding orbitals
bond order =
1/2 (# bonding electrons - # antibonding electrons)
the higher the bond order,
the stronger the bond
mole
6.022 x 10^23 entities (Avogadro's number)
one mole is the amount of a substance that contains the same number of particles or entities as there are atoms in exactly 12g of the Carbon 12 isotope
molar mass
the mass of one mole of a substance in grams
numerically equal to atomic mass but expressed in grams
molar mass of compounds
sum of all the molar masses of all the atoms in a molecule
mass percent
percentage mass of a particular element present in a compound
percent composition of compound
molecular formula shows
type of each element
the actual number of atoms of each element
present in a molecule of the compound
empirical formula
shows the simplest whole-number ratio of various elements in a compound
relationship between molecular formula and empirical formula
molecular formula is a whole-number multiple of the empirical formula
relationship between molar mass and empirical formula mass
molar mass is a whole-number multiple of the empirical formula mass
steps to determine molecular formula from experimental data
determine the empirical formula from the masses or mass percent values of various elements present in a compound
determine molecular formula from molar mass of the compound and empirical formula