What is the significance of d (x^2-y^2) in the d subshell?

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The discussion centers on the d orbital known as d(x^2-y^2), with a focus on its mathematical derivation. The angular part of the d(x^2-y^2) orbital is explained using the spherical coordinates transformation, where x and y are expressed in terms of spherical coordinates. It is noted that resources such as quantum chemistry or quantum mechanics textbooks provide these calculations. Additionally, a link to a PDF on spherical harmonics is shared as a helpful reference. The wave function for this orbital is derived from solving the Schrödinger wave equation, highlighting the relationship between the orbital's mathematical representation and trigonometric functions. Overall, the discussion emphasizes the mathematical foundation and resources available for understanding the d(x^2-y^2) orbital.
americast
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Hi all,
One of the orbitals of the d subshell is called d (x^2-y^2). What is the reason behind that? It would be helpful if someone could give the calculations.

Thanx in advance...
 

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It is simply the angular part of x^2-y^2. Use ##x=r \sin \theta \cos \phi## and ##y=r\sin \theta \sin \phi##.
 
While any decent quantum chemistry or quantum mechanics book should have the calculation for you, I did find http://www.fordham.edu/images/undergraduate/chemistry/pchem1/spherical_harmonics.pdf online that should do the trick. There's plenty online on (visualization of) the spherical harmonics, so if you need more information on them in particular, shouldn't be too hard to find.
 
This is actually the wave function obtained after solving Schrödinger wave equation and by comparing linear part of the function with mathematical trigonometric functions it looks like the squad of rectangular coordinate x minus square of rectangular coordinate y
 
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