What is Orbitals: Definition and 245 Discussions

In atomic theory and quantum mechanics, an atomic orbital is a mathematical function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term atomic orbital may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital.Each orbital in an atom is characterized by a unique set of values of the three quantum numbers n, ℓ, and ml, which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (the magnetic quantum number). Each such orbital can be occupied by a maximum of two electrons, each with its own projection of spin




m

s




{\displaystyle m_{s}}
. The simple names s orbital, p orbital, d orbital, and f orbital refer to orbitals with angular momentum quantum number ℓ = 0, 1, 2, and 3 respectively. These names, together with the value of n, are used to describe the electron configurations of atoms. They are derived from the description by early spectroscopists of certain series of alkali metal spectroscopic lines as sharp, principal, diffuse, and fundamental. Orbitals for ℓ > 3 continue alphabetically, omitting j (g, h, i, k, ...) because some languages do not distinguish between the letters "i" and "j".Atomic orbitals are the basic building blocks of the atomic orbital model (alternatively known as the electron cloud or wave mechanics model), a modern framework for visualizing the submicroscopic behavior of electrons in matter. In this model the electron cloud of a multi-electron atom may be seen as being built up (in approximation) in an electron configuration that is a product of simpler hydrogen-like atomic orbitals. The repeating periodicity of the blocks of 2, 6, 10, and 14 elements within sections of the periodic table arises naturally from the total number of electrons that occupy a complete set of s, p, d, and f atomic orbitals, respectively, although for higher values of the quantum number n, particularly when the atom in question bears a positive charge, the energies of certain sub-shells become very similar and so the order in which they are said to be populated by electrons (e.g. Cr = [Ar]4s13d5 and Cr2+ = [Ar]3d4) can only be rationalized somewhat arbitrarily.

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  1. C

    Hybridized orbitals (can't understand diagram)

    Please see attachment. 1. "Now the 2s orbital and two of the 2p orbitals of B hybridize to form a set of three equivalent sp2 hybrid orbitals." The notes says. Can someone tell me why are there two 2p orbitals in B? I thought electronic configuration of B is 1s2 2s2 2p1? 2. What does the...
  2. R

    Question about H atom orbitals

    Hello, all, I have a question about the wave functions of H atom: for p orbital, wave functions from the Schrodinger equation are p+1, p0, and p-1. In chemistry, people use the linear combination of p+1 and p-1 to generate px and py orbitals. The question is: p+1 and p-1 orbitals are...
  3. E

    Some questions on energy of orbitals

    1. We know px,py,pz are degenerate orbitals... My question is suppose in 0=[He] 2s^2 2px^2 2py^1 2pz^1 Are the px,py,pz orbitals degenerate here? 2. What is the true reason of inert pair effect? 3. What is the order of shielding effect for s,p,d,f?I just want to verify my answers...
  4. B

    Images of electron orbitals for H2, He, Li and Li2?

    Is there some resource on the net where I can find images of electron orbitals for dihydrogen (H2), helium (He), lithium (Li) and dilithium (Li2)? Alternatively if there is some software that can produce such images, that would be good too.
  5. E

    Some questions on energy of orbitals

    1. We know px,py,pz are degenerate orbitals... My question is suppose in 0=[He] 2s^2 2px^2 2py^1 2pz^1 Are the px,py,pz orbitals degenerate here? 2. What is the reason of inert pair effect? 3. What is the order of shielding effect for s,p,d,f?
  6. C

    Do Amine Orbitals Change Shape

    Homework Statement Does the size of the p orbital with the lone pair change when adding electron donating groups, such as methyl? Homework Equations N/A The Attempt at a Solution I know the electron availability increases on the nitrogen's lone pair, making it a better base, but I'm...
  7. N

    Which one of the following orbitals is lowest in energy in a Li2+ ion?

    Which one of the following orbitals is lowest in energy in a Li2+ ion? 37s 12p z 2d x^2-y^2 5f xyz 4d xz attempt on solution: n=3 l=can be n-1 ml=-l to + l Therefore the lowest energy is I suppose the answer is 12p z? since the l can be any number smaller than 3 until...
  8. S

    Convergence of Atomic Orbitals 2s and 2p with high Z number

    Hello all, this came up in my chemistry class when our prof. showed a graph of the size of atomic orbitals (or orbital energy) in relation to the Z number (or number of protons). He did this to show that as the z number increases the size of the orbitals also decrease (because effective nuclear...
  9. S

    Stability of Atoms with half-filled orbitals

    I have observed that when the outermost orbital is half filled (like Nitrogen 1s2 2s2 2p3), the atom has a higher stability (or a lower binding energy). Why is this so? I have heard it has to do with the fact that electron spin is maximized at that point but it still does not make sense to me...
  10. D

    Bloch function of an infinite, 1-D linear chain of dz2 orbitals.

    Homework Statement Consider an infinite, one-dimensional linear chain of dz2 orbitals separated at a distance a. Write an expression of the BLOCH FUNCTION that describes this chain. Homework Equations ψk=Ʃexp(ikna)χn The Attempt at a Solution I read this...
  11. S

    Energy in Orbitals: Exploring Electron Movement

    Hello, where does the energy that let electrons move inside orbitals came from and are they subject to Coulomb attraction with the nucleus ?
  12. D

    What are single electron orbitals?

    1. "i.e an electron is removed from one of the single electron orbitals into the vacuum." I know what orbitals are but I don't know what constitutes single-electron orbitals. I first assumed it was simply an orbital which in a given configuration only had one electron but that had to be ruled...
  13. Drakkith

    Standing Waves: Particles & Atomic/Molecular Orbitals

    Are particles considered to be standing waves? Or only in certain situations such as an electron in its atomic/molecular orbital?
  14. D

    Electron configuration 3d orbitals

    Hello. I'm having a problem understanding the 3d orbitals when I'm doing electron configurations. When you fill up electrons for let's say nickel, Ni, you get the configuration: [Ar]3d8 4s2, if I'm not mistaken. But what I have read, at least I think I have, the 3d orbital gets really...
  15. tiny-tim

    Classifying electron orbitals by nodes

    (is this correct … ?) electrons "orbiting" a single atom obey the Schrodinger equation, whose solutions are linear combinations of an orthogonal basis of solutions of the form R(r)Θ(θ)Φ(φ) where r θ and φ are the usual spherical coordinates: θ = 0 is the usual z axis these "orbitals"...
  16. S

    What are the shapes of atomic orbitals

    I know that the shape of s orbital is sphere, p orbital is dumbbell shaped and d orbital is like a doughnut but why do these orbitals have these shapes why not some other shape.
  17. A

    Are the orbitals circular or spherical or parabolic? Are they 3D?

    Are the orbitals circular or spherical or parabolic?? Are they 3D? Are the orbitals circular or spherical or parabolic?? Are they 3D?
  18. A

    Degenerate Orbitals: Can Orbitals' Degeneracy be Affected?

    Can the degeneracy of orbitals be affected in anyway?
  19. nukeman

    Help: Question about Orbitals and Quantum numbers - Thanks

    Homework Statement Assume that you travel through space to a strange universe where the allowable values for the quantum numbers are quite different from those in our own universe. In this new universe, s orbitals may contain a total of 2 electrons, p orbitals may contain a total of 4...
  20. T

    Understanding Electron Orbitals: Exploring Their Size and Positioning

    I understand that electrons can be in any particular location of an orbital. However, why do they have such a large space for the electron to potentially be in? Shouldn't the electron stick to the proton?
  21. S

    Still a bit confused about electron orbitals?

    Hey Everyone, If you have an electron with the various energy levels: -14 eV, -30 eV, -52 eV, -80 eV. And that the electron can only move between these levels. How do I go about finding the photo energy that is emitted? Do I just subtract the various levels? Ex. 14 - 30 = -16 etc?
  22. A

    What is the Radius of Bohr Atom Orbitals?

    Homework Statement Given the numerical value of a0= 5.3X10^11m in the Bohr hydrogen atom, find the radius of the first five orbitals as well as the radius for n=100. Homework Equations Rn=a0 x n^2 The Attempt at a Solution Could it be as simple as typing in for the third orbital...
  23. O

    Degeneracy of Hydrogen atomic orbitals with different l-values but same n-value

    I am terribly confused. I have always been hearing that in the hydrogen atom, 2s and 2p orbitals have the same energy. Similarly, the 3s, 3p and 3d orbitals have the same energies. This is also suggested by the hydrogen spectrum, my professor also believes the same, and I am unable to find...
  24. M

    Natural Orbitals for Particles in a Box

    Natural Orbitals for "Particles in a Box" Hi, Are Sine waves the natural orbitals for particles in a box when electron-electron interactions are considered? Or is it only true for non-interacting electrons?
  25. P

    The Requirement of integer orbitals

    If there is a cloud of electrons around an atom than why can't there be orbitals between 1 and 2 or between 2 and 3. I know the probability of an electron being between certain nodes decreases as they approach them but why as the probabilities go away from the perfect orbital do they not become...
  26. S

    Energy of ions in different orbitals

    Homework Statement Calculate the wavelength of light needed to excite a Li2+ ion from the 4s to the 5d orbital. Report your answer with 3 significant figures. Homework Equations E=hc/lambda lambda=hc/E The Attempt at a Solution I think that the above equations are supposed to...
  27. N

    Orbitals & Energies: Exploring the Relationship

    Hey everyone, So I've been a little bit confused about something, and I'd like some input on this: When I look at systems like the particle in a box, or the Hydrogen Atom, it's clear that the higher energy states of comparable shape have more nodes. This seems to always be true. For any...
  28. C

    How is it possible that 3d orbitals are more contracted than 4f?

    just thinking... the energy of an orbital depends on: a)quantum number n b)quantum number l. an orbital will be of less energy when it's more contracted. So technically, 3d should have a lower energy than 4f and hence be contracted. BUT IT'S THE OTHER WAY AROUND! help? thank you!
  29. H

    Question on electron orbitals?

    Homework Statement What are the two possible electron orbital configurations of W+6, Au+, and Au+3. Homework Equations The Attempt at a Solution I know Tungsten should initially be [Xe]6s2 4f14 5d4 and Gold should initially be [Xe]6s1 4f14 5d10. From what I remember of intro...
  30. C

    Interaction between orbitals

    Homework Statement How would you expect the interaction to compare in the following situations, all of which occur in a A2 molecule. 1) interaction of two 1s Aos in H2 2)interaction of two 1s Aos in N2 3)interaction of a 2s and a 2px AO 4)interaction of two 3s in O2. The Attempt at a...
  31. C

    What are the energy differences between the atomic orbitals of He and He+?

    Homework Statement Compare the energies of the 1s, 2s, 3s and 3p orbitals for both the HE and He+. For He assume that one electron is always in the 1s orbital. State any other assumptions you have made 2. The attempt at a solution I think: He can be either 1s1 2s1 or 1s2 He+ has to be...
  32. R

    Comparing Orbitals of H and He+

    Homework Statement Both H and He+ atoms contain a nucleus and a single electron. Therefore He+ is often referred to as Hydrogen-like. According to the Bohr Model, the electron in He+ should orbit the nucleus in discrete orbits, much like the electron in the Hydrogen atom orbits its nucleus...
  33. T

    Ionization and its effect on other orbitals.

    Just hit a mental wall here, I was thinking of simple formation of an ionic compound, where a metal with a small number of outer electrons loses the outer electrons to a electronegative atom. Simple right? I know! But it got me thinking, even though the outer electrons are easily ripped off...
  34. J

    Sp hybrid orbitals orthonormality

    Homework Statement Find the other sp hybrid orbital given Ψsp1 = 3Ψ2s + 4Ψ2pz using the orthonormal relationships. Homework Equations I know that you are supposed to use the orthonormal relationships like stated in the problem, and when finding the the second sp hybrid orbital for...
  35. L

    Understand Orbits & Orbitals - Get Clarified Here

    l don't quite understand the difference . as far as l see it , orbital was defined as a group of orbits so that one level of energy can contain many electrons without canceling each other . in other words one level can have exact similar electrons but in different orbits within the same...
  36. C

    How do atomic orbitals combine to form molecular orbitals?

    When 2 atoms bond, do all their atomic orbitals combine, or is it just the bonding orbitals that combine? For example when sodium and chlorine bond, do all their orbitals combine or is it just sodiums 3s orbital that combines with chlorines 3p orbital?
  37. A

    Visualising atomic orbitals in a unit cell (software for making figures?)

    So I usually use VESTA to make my figures, and though the new version is able to do many mad things with calculated electron density isostructures and whatnot, I can't seem to just be able to throw in some clover-leaf d or p orbitals like what was done in the image below (from this paper on...
  38. L

    What is the Relationship Between Atomic Orbitals in Polyelectronic Atoms?

    So we've all seen the pictures of orbitals in chemistry textbooks. You know, the sphere for an s orbital, the two balloons for a p orbital, etc. But they always present these models as independent systems. No one has ever told me what the orbitals look like (and yes I know that an orbital is...
  39. A

    Motion of electrons in orbitals and shape of orbitals

    Why don't electrons move only along the surface of orbitals? Moreover, how do electrons move within orbitals, random movement or do they follow a definite path? In a p-orbital, does one lobe consist of only one electron? Why is the p-orbital dumbbell shaped and not spherical?
  40. K

    Electrons in antinodes of orbitals

    Hi Thinking of the structure of an atom in terms of spherical harmonics; the mathematics of which is the base of schrodinger's wave equation. If its possible to make the electrons gather at the antinodes, what are the possible applications/uses of this? (Simply a new area for research? or...
  41. D

    Hartree Fock: Which orbitals have to be choosen?

    Hi folks, Hartree Fock theory tells us, that the energy functional <\Psi|H|\Psi> where \Psi is a single Slater determinant is minimized by using spin orbitals \phi_i that fulfill the Hartree Fock equations f_i \phi_i = \epsilon_i \phi_i. Since the Fock operator f_i depends on the solution, the...
  42. C

    Question about Orbitals in an Atom

    For a summer class, I’ve been trying to get the quantum picture of an atom at least in conceptual terms, no math. I understand how, if you think about an atom like a one-dimensional box, an s orbital is like the first fundamental wave, and a p-orbital is like a sine wave, and I understand how...
  43. D

    Why do we choose specific spin orbitals in Hartree Fock theory?

    hi, why does one choose in Hartree Fock theory the following type of spin orbitals? spinorbital(r,s) = spacialOrbital(r)*alpha(s) or spinorbital(r,s) = spacialOrbital(r)*beta(s) where alpha(s) is the spin up function and beta(s) the spin down function. Why does one not choose the...
  44. B

    Localization of Molecular Orbitals

    Just curious why chemical physicists bother with localization procedures for molecules. Because atomic orbitals become de-localized when they form molecular bonds, but then it seems people wish to come up with procedures to re-localize. I've read quite a bit on how the de-localization...
  45. G

    Atomic Orbitals: Spherical vs. Non-Spherical

    atomic orbitals, what i just know about them is they are the regions around the nucleus where the probability of finding an electron is high and that is OK with s orbital because it is spherical. but when an electron in p orbital spins the probability of finding an electron should spin...
  46. T

    Why electrons must occupy degenerate orbitals with parallel spins?

    Why electrons occupy degenerate orbitals with parallel spins? heard something of stability due to exchange pairing of electrons. someone kindly clarify this matter.
  47. 1

    Why does the possible orbitals equal n squared?

    If i take any integer, x write out all integers from 0 to x - 1 write out all numbers between negative and positive values of those numbers I get x squared total values. why? what is the mathematical logoc behind this? x = 3 0 to x - 3 = 0, 1, 2 0 -1, 0, 1 -2, -1, 0, 1, 2 9...
  48. M

    Hybridization of atomic orbitals

    Hi all, To my knowledge hybridization of atomc orbitals occurs only between orbitals in the same atom, with similar energies, in order to produce new atomic orbitals, identical with the same energy, to make chemical bonds with other atoms. There are sp, sp2, sp3, etc... possibilities. My...
  49. E

    Understanding Hybrid Orbitals and MO Theory in Chemical Bonding

    Hi, If 2s orbital and 2p_z orbitals are near enough in energy, then they can mix together to form two sp hybrid orbitals. But how can I deal with sp^3 or sp^2 hybridization? According to MO only orbitals with the same symmetry species can overlap, so how can an s orbital overlap with a p_x...
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