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Summary Descriptive Inorganic Chemistry 15-Molecular Orbitals for Diatomic Molecules, Texas A&MU 2019 $2.60   Add to cart
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Summary Descriptive Inorganic Chemistry 15-Molecular Orbitals for Diatomic Molecules, Texas A&MU 2019
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  • Course
  • Inorganic Chemistry
  • Institution
  • Inorganic Chemistry

Solution will involve molecular orbitals - similar to atomic orbitals - but centred around all of the nuclei in molecule. Each defined by sets of quantum numbers,

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  • June 6, 2023
  • 25
  • 2019/2020
  • Summary

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  • molecular orbitals for diatomic molecules

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  • Inorganic Chemistry
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Lecture 15
Molecular Orbitals for Diatomic Molecules

, Solution will involve molecular orbitals - similar to atomic orbitals -
but centred around all of the nuclei in molecule. Each defined by sets of
quantum numbers, with electron probability density determined by 2,
where  = molecular wave function.



Approximate method:
At any moment, electron near one nucleus - approximate behaviour like
electron in atomic orbital for that atom. Over time - electron associated with
other nuclei in molecule. Therefore construct molecular orbitals (m.o.'s) by
forming:



Linear Combination of Atomic
Orbitals

, It is this, LCAO , m ethod w hich w e w ill use to construct
m .o's.
Simplest example - H2: two H atoms HA and HB

Only two a.o.'s (1sA, 1sB) to form linear combinations.

General rule: n a.o.'s n m.o.'s

So we can only construct 2 m.o.'s for H2 - and these are:


b = 1sA + 1sB and a = 1sA - 1sB



i.e. the sum (b) and the difference (a) of the constituent
a.o.'s.

Consider the electron distribution in each of these:

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