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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.

Three diagrams are shown and labeled “a,” “b,” and “c.” Diagram a shows two horizontal peanut-shaped orbitals laying side-by-side. They are labeled, “3 p subscript x and 3 p subscript x.” Diagram b shows one vertical and one horizontal peanut-shaped orbital which are at right angles to one another. They are labeled, “3 p subscript x and 3 p subscript y.” Diagram c shows two vertical peanut-shaped orbitals laying side-by-side and labeled, “3 p subscript y and 3 p subscript y.”

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 π 3 p * orbital.

Check your learning

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

Two orbitals are shown lying end-to-end. Each has one enlarged and one small side. The small sides are facing one another

Answer:

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.

Two orbitals are shown lying end-to-end. Each has one enlarged and one small side. The small sides are facing one another and are separated by a vertical dotted line.
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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.

A photograph of Walter Kohn is shown.
Walter Kohn developed methods to describe molecular orbitals. (credit: image courtesy of Walter Kohn)

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.

A diagram of a molecule is shown. The image shows a tangle of ribbon-like, intertwined, pink and green curling lines with a complex ball and stick model in the center.
The molecule shown, HIV-1 protease, is an important target for pharmaceutical research. By designing molecules that bind to this protein, scientists are able to drastically inhibit the progress of the disease.

Questions & Answers

what does the ideal gas law states
Joy Reply
Three charges q_{1}=+3\mu C, q_{2}=+6\mu C and q_{3}=+8\mu C are located at (2,0)m (0,0)m and (0,3) coordinates respectively. Find the magnitude and direction acted upon q_{2} by the two other charges.Draw the correct graphical illustration of the problem above showing the direction of all forces.
Kate Reply
To solve this problem, we need to first find the net force acting on charge q_{2}. The magnitude of the force exerted by q_{1} on q_{2} is given by F=\frac{kq_{1}q_{2}}{r^{2}} where k is the Coulomb constant, q_{1} and q_{2} are the charges of the particles, and r is the distance between them.
Muhammed
What is the direction and net electric force on q_{1}= 5µC located at (0,4)r due to charges q_{2}=7mu located at (0,0)m and q_{3}=3\mu C located at (4,0)m?
Kate Reply
what is the change in momentum of a body?
Eunice Reply
what is a capacitor?
Raymond Reply
Capacitor is a separation of opposite charges using an insulator of very small dimension between them. Capacitor is used for allowing an AC (alternating current) to pass while a DC (direct current) is blocked.
Gautam
A motor travelling at 72km/m on sighting a stop sign applying the breaks such that under constant deaccelerate in the meters of 50 metres what is the magnitude of the accelerate
Maria Reply
please solve
Sharon
8m/s²
Aishat
What is Thermodynamics
Muordit
velocity can be 72 km/h in question. 72 km/h=20 m/s, v^2=2.a.x , 20^2=2.a.50, a=4 m/s^2.
Mehmet
A boat travels due east at a speed of 40meter per seconds across a river flowing due south at 30meter per seconds. what is the resultant speed of the boat
Saheed Reply
50 m/s due south east
Someone
which has a higher temperature, 1cup of boiling water or 1teapot of boiling water which can transfer more heat 1cup of boiling water or 1 teapot of boiling water explain your . answer
Ramon Reply
I believe temperature being an intensive property does not change for any amount of boiling water whereas heat being an extensive property changes with amount/size of the system.
Someone
Scratch that
Someone
temperature for any amount of water to boil at ntp is 100⁰C (it is a state function and and intensive property) and it depends both will give same amount of heat because the surface available for heat transfer is greater in case of the kettle as well as the heat stored in it but if you talk.....
Someone
about the amount of heat stored in the system then in that case since the mass of water in the kettle is greater so more energy is required to raise the temperature b/c more molecules of water are present in the kettle
Someone
definitely of physics
Haryormhidey Reply
how many start and codon
Esrael Reply
what is field
Felix Reply
physics, biology and chemistry this is my Field
ALIYU
field is a region of space under the influence of some physical properties
Collete
what is ogarnic chemistry
WISDOM Reply
determine the slope giving that 3y+ 2x-14=0
WISDOM
Another formula for Acceleration
Belty Reply
a=v/t. a=f/m a
IHUMA
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Adah
pratica A on solution of hydro chloric acid,B is a solution containing 0.5000 mole ofsodium chlorid per dm³,put A in the burret and titrate 20.00 or 25.00cm³ portion of B using melting orange as the indicator. record the deside of your burret tabulate the burret reading and calculate the average volume of acid used?
Nassze Reply
how do lnternal energy measures
Esrael
Two bodies attract each other electrically. Do they both have to be charged? Answer the same question if the bodies repel one another.
JALLAH Reply
No. According to Isac Newtons law. this two bodies maybe you and the wall beside you. Attracting depends on the mass och each body and distance between them.
Dlovan
Are you really asking if two bodies have to be charged to be influenced by Coulombs Law?
Robert
like charges repel while unlike charges atttact
Raymond
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Source:  OpenStax, Ut austin - principles of chemistry. OpenStax CNX. Mar 31, 2016 Download for free at http://legacy.cnx.org/content/col11830/1.13
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