# 3.11 Molecular orbital theory  (Page 4/26)

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## Molecular orbitals

Predict what type (if any) of molecular orbital would result from adding the wave functions so each pair of orbitals shown overlap. The orbitals are all similar in energy.

## Solution

(a) is an in-phase combination, resulting in a σ 3 p orbital

(b) will not result in a new orbital because the in-phase component (bottom) and out-of-phase component (top) cancel out. Only orbitals with the correct alignment can combine.

(c) is an out-of-phase combination, resulting in a ${\text{π}}_{3p}^{*}$ orbital.

Label the molecular orbital shown as σ or π, bonding or antibonding and indicate where the node occurs.

The orbital is located along the internuclear axis, so it is a σ orbital. There is a node bisecting the internuclear axis, so it is an antibonding orbital.

## Walter kohn: nobel laureate

Walter Kohn ( [link] ) is a theoretical physicist who studies the electronic structure of solids. His work combines the principles of quantum mechanics with advanced mathematical techniques. This technique, called density functional theory, makes it possible to compute properties of molecular orbitals, including their shape and energies. Kohn and mathematician John Pople were awarded the Nobel Prize in Chemistry in 1998 for their contributions to our understanding of electronic structure. Kohn also made significant contributions to the physics of semiconductors.

Kohn’s biography has been remarkable outside the realm of physical chemistry as well. He was born in Austria, and during World War II he was part of the Kindertransport program that rescued 10,000 children from the Nazi regime. His summer jobs included discovering gold deposits in Canada and helping Polaroid explain how its instant film worked. Although he is now an emeritus professor, he is still actively working on projects involving global warming and renewable energy.

## Computational chemistry in drug design

While the descriptions of bonding described in this chapter involve many theoretical concepts, they also have many practical, real-world applications. For example, drug design is an important field that uses our understanding of chemical bonding to develop pharmaceuticals. This interdisciplinary area of study uses biology (understanding diseases and how they operate) to identify specific targets, such as a binding site that is involved in a disease pathway. By modeling the structures of the binding site and potential drugs, computational chemists can predict which structures can fit together and how effectively they will bind (see [link] ). Thousands of potential candidates can be narrowed down to a few of the most promising candidates. These candidate molecules are then carefully tested to determine side effects, how effectively they can be transported through the body, and other factors. Dozens of important new pharmaceuticals have been discovered with the aid of computational chemistry, and new research projects are underway.

Is there any normative that regulates the use of silver nanoparticles?
what king of growth are you checking .?
Renato
What fields keep nano created devices from performing or assimulating ? Magnetic fields ? Are do they assimilate ?
why we need to study biomolecules, molecular biology in nanotechnology?
?
Kyle
yes I'm doing my masters in nanotechnology, we are being studying all these domains as well..
why?
what school?
Kyle
biomolecules are e building blocks of every organics and inorganic materials.
Joe
anyone know any internet site where one can find nanotechnology papers?
research.net
kanaga
sciencedirect big data base
Ernesto
Introduction about quantum dots in nanotechnology
what does nano mean?
nano basically means 10^(-9). nanometer is a unit to measure length.
Bharti
do you think it's worthwhile in the long term to study the effects and possibilities of nanotechnology on viral treatment?
absolutely yes
Daniel
how to know photocatalytic properties of tio2 nanoparticles...what to do now
it is a goid question and i want to know the answer as well
Maciej
Abigail
for teaching engĺish at school how nano technology help us
Anassong
Do somebody tell me a best nano engineering book for beginners?
there is no specific books for beginners but there is book called principle of nanotechnology
NANO
what is fullerene does it is used to make bukky balls
are you nano engineer ?
s.
fullerene is a bucky ball aka Carbon 60 molecule. It was name by the architect Fuller. He design the geodesic dome. it resembles a soccer ball.
Tarell
what is the actual application of fullerenes nowadays?
Damian
That is a great question Damian. best way to answer that question is to Google it. there are hundreds of applications for buck minister fullerenes, from medical to aerospace. you can also find plenty of research papers that will give you great detail on the potential applications of fullerenes.
Tarell
what is the Synthesis, properties,and applications of carbon nano chemistry
Mostly, they use nano carbon for electronics and for materials to be strengthened.
Virgil
is Bucky paper clear?
CYNTHIA
carbon nanotubes has various application in fuel cells membrane, current research on cancer drug,and in electronics MEMS and NEMS etc
NANO
so some one know about replacing silicon atom with phosphorous in semiconductors device?
Yeah, it is a pain to say the least. You basically have to heat the substarte up to around 1000 degrees celcius then pass phosphene gas over top of it, which is explosive and toxic by the way, under very low pressure.
Harper
Do you know which machine is used to that process?
s.
how to fabricate graphene ink ?
for screen printed electrodes ?
SUYASH
What is lattice structure?
of graphene you mean?
Ebrahim
or in general
Ebrahim
in general
s.
Graphene has a hexagonal structure
tahir
On having this app for quite a bit time, Haven't realised there's a chat room in it.
Cied
what is biological synthesis of nanoparticles
how did you get the value of 2000N.What calculations are needed to arrive at it
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A teaspoon of the carbohydrate sucrose contains 16 calories, what is the mass of one teaspoo of sucrose if the average number of calories for carbohydrate is 4.1 calories/g?
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