Part C Here's a wild molecule: disulfur dinitride (S2N2). It can be isolated as a crystalline solid,but it is unstable (explosive). Therefore, it must to be handled carefully in an inert atmosphere freeof oxygen. X-ray diffraction measurements of the crystalline solid indicate the atoms are arranged ina square with the sulfur atoms on opposite corners and the nitrogen atoms on the remaining oppositecorners. Consider the bonding in this unusual molecule.a. Determine the best Lewis structure representation for S2N2. Include the formal charges oneach atom in the structure.b. Determine the valence bonding theory predictions for hybridization at each atom in S2N2.The bond angles in S2N2 have been measured by X-ray diffraction and are all approximately90°. Does valence bond theory do a good job of predicting this observation?Consider the geometry and bonding of S2N2 computed using molecular orbital theory. Theresults are shown below. Identify the orbital character of the HOMO(-2), HOMO(-1),НОМО, and LUMO.с.TOP VIEWSIDE VIEWLUMOLUMO (-0.5 eV)-1-2-3НОМО-9.8.-9.9-НОмО (-9.9 eV)-10.0-HOMO(-1)-10.1номо(-1) (-10.1 eV)-10.2--10.3HOMO(-2) (-10.3 eV)-10.4Calculated MOs using SpartanMethod: DFT B97X-DBasis Set: 6-31G*HOMO(-2)Relative Energy (eV)4-

Higher the energy of the molecular orbitals least would be the stability of that orbital.

Answered: c. Consider the geometry and bonding of…

c. Consider the geometry and bonding of S2N2 computed using molecular orbital theory. The results are shown below. Identify the orbital character of the HOMO(-2), HOMO(-1), HOMO, and LUMO.

Chemistry: The Molecular Science

5th Edition

ISBN:9781285199047

Author:John W. Moore, Conrad L. Stanitski

Publisher:John W. Moore, Conrad L. Stanitski

Chapter6: Covalent Bonding

Section: Chapter Questions

Problem 116QRT

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Question

Part C

Here's a wild molecule: disulfur dinitride (S2N2). It can be isolated as a crystalline solid,
but it is unstable (explosive). Therefore, it must to be handled carefully in an inert atmosphere free
of oxygen. X-ray diffraction measurements of the crystalline solid indicate the atoms are arranged in
a square with the sulfur atoms on opposite corners and the nitrogen atoms on the remaining opposite
corners. Consider the bonding in this unusual molecule.
a. Determine the best Lewis structure representation for S2N2. Include the formal charges on
each atom in the structure.
b. Determine the valence bonding theory predictions for hybridization at each atom in S2N2.
The bond angles in S2N2 have been measured by X-ray diffraction and are all approximately
90°. Does valence bond theory do a good job of predicting this observation?
Consider the geometry and bonding of S2N2 computed using molecular orbital theory. The
results are shown below. Identify the orbital character of the HOMO(-2), HOMO(-1),
НОМО, and LUMO.
с.
TOP VIEW
SIDE VIEW
LUMO
LUMO (-0.5 eV)
-1
-2
-3
НОМО
-9.8.
-9.9-
НОмО (-9.9 eV)
-10.0-
HOMO(-1)
-10.1
номо(-1) (-10.1 eV)
-10.2-
-10.3
HOMO(-2) (-10.3 eV)
-10.4
Calculated MOs using Spartan
Method: DFT B97X-D
Basis Set: 6-31G*
HOMO(-2)
Relative Energy (eV)
4-

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