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Many students face problems with finding the hybridization of given atom (usually the central one) in a compound and the shape of molecule. Nevertheless, it is very easy to determine the state of hybridization and geometry if we know the number of sigma bonds and lone pairs on the given atom. On this page, I am going to explain you how to determine them in 5 easy steps.
v = no. of valence electrons in the concerned atom in free state (i.e. before bond formation). b = no. of bonds (including both & bonds) formed by concerned atom. c = charge on the atom (take care: it may not be the charge on entire molecule or ionic species). Note: When the concerned atom makes a dative bond with other atoms, it may acquire positive or negative charge depending on whether it is donating or accepting the lone pair while doing so respectively. If it donates a lone pair, a positive charge is accumulated. E.g. Nitrogen atom in ammonium ion, NH4+ gets positive charge since it donates a pair of electrons to H+ ion. If it receives a lone pair, a negative charge is acquired. E.g. Boron atom gets negative charge when it accepts a lone pair from hydride ion, H- in borohydride ion, BH4STEP-4: Calculate the steric number: Steric number = no. of -bonds + no. of lone pairs STEP-5: Assign hybridization and shape of molecule Now, based on the steric number, it is possible to get the type of hybridization of the atom. Consult the following table.
Steric number 2 3 4 5 6 7
Structure linear trigonal planar tetrahedral trigonal bipyramidal octahedral pentagonal bipyramidal
If the steric number and the number of -bonds are equal, then the structure and shape of molecule are same. This case arises when there are no lone pairs on the given central atom. Note: The structure of a molecule includes both bond pairs and lone pairs. It is always arrived at from the steric number. However, while assigning the shape of molecule, we consider only the spatial arrangement of bond pairs (exclusively of -bonds) and atoms connected the central atom. Hence when the steric number is NOT equal to the number of -bonds, we have to arrive at the shape of molecule by considering the arrangement of the -bonds in space. Though the lone pairs affect the bond angles, their positions are not taken into account while doing so. ILLUSTRATIONS
STEP-2: Calculate the number of sigma () bonds Since carbon is attached to four hydrogen atoms, the number of -bonds is equal to 4. STEP-3: Calculate the number of lone pairs The number of lone pairs on carbon atom = (v - b - c) / 2 = (4 - 4 - 0) / 2 = 0. Note: There are 4 valence electrons in the carbon atom before bond formation. STEP-4: Calculate the steric number of carbon atom: Steric number = no. of -bonds + no. of lone pairs = 4 + 0 = 4 STEP-5: Assign hybridization and shape of molecule The hybridization of carbon in methane is sp3.
This molecule is tetrahedral in structure as well as in shape, since there are no lone pairs and the number of -bonds is equal to the steric number. The bond angle is 109o28'.
STEP-2: Calculate the number of sigma () bonds Nitrogen in ammonia is bonded to 3 hydrogen atoms. Hence the number of sigma bonds is equal to 3. STEP-3: Calculate the number of lone pairs The number of lone pairs on nitrogen atom = (v - b - c) / 2 = (5 - 3 - 0) / 2 = 1. Note: There are 5 valence electrons in the nitrogen atom before the bond formation. STEP-4: Calculate the steric number of nitrogen atom: Steric number = no. of -bonds + no. of lone pairs = 3 + 1 = 4 STEP-5: Assign hybridization and shape of molecule Nitrogen in ammonia undergoes sp3 hybridization. The structure of this molecule is based on tetrahedral geometry with one lone pair occupying a corner. The steric number is not equal to the number of -bonds. Hence the shape is pyramidal (consider only the arrangement of only bonds and atoms in space).
Note: The bond angle is not equal to 109 o28'. It is slightly decreased to 107o48' due to repulsion from lone pair.
Skip this step. STEP-2: Calculate the number of sigma () bonds The number of sigma bonds formed by xenon is four since it is bonded to only four fluorine atoms. Note: The valency of fluorine is one. STEP-3: Calculate the number of lone pairs The number of lone pairs on xenon atom = (v - b - c) / 2 = (8 - 4 - 0) / 2 = 2. Note: Xenon belongs to 18th group (noble gases). STEP-4: Calculate the steric number of central atom: Steric number = no. of -bonds + no. of lone pairs = 4 + 2 = 6 STEP-5: Assign hybridization and shape of molecule The hybridization is sp3d2. Structure is based on octahedral geometry with two lone pairs occupying two corners. Shape is square planar.
Only in above arrangement, the two lone pairs are at 180 o of angle to each other to achieve greater minimization of repulsions between them. If two lone pairs are arranged at 90o of angle, the repulsions are greater. Hence the following structure can be ruled out.
STEP-1: Write the Lewis structure Sulfur's valency may be 2 or 4 or 6. Oxygen's valency is only one. Hence each oxygen makes two bonds with sulfur atom. Among these, one is sigma bond and the second one is pi bond. The total number of bonds formed by sulfur with two oxygen atoms is four.
STEP-2: Calculate the number of sigma () bonds The number of sigma bonds formed by sulfur atom is two since it is bonded to only two oxygen atoms. STEP-3: Calculate the number of lone pairs The number of lone pairs on sulfur atom = (v - b - c) / 2 = (6 - 4 - 0) / 2 = 1. Number of valence electrons in sulfur is 6. It belongs to 16th group. Total number of bonds including sigma and pi bonds is 4. STEP-4: Calculate the steric number of central atom: Steric number = no. of -bonds + no. of lone pairs = 2 + 1 = 3 STEP-5: Assign the hybridization and shape of molecule The hybridization is sp2. Structure is based on trigonal planar geometry with one lone pair occupying a corner. Shape is angular.