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Part of PC-03 — Chemical Bonding & Molecular Structure

Formula Sheet (LaTeX): Chemical Bonding Key Formulas

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Core Formulas

1. Steric Number (SN): SN=nσ+nlp\text{SN} = n_\sigma + n_{lp} where nσn_\sigma = number of sigma bonds, nlpn_{lp} = number of lone pairs on central atom.

2. Dipole Moment: μ=q×d[C⋅m;1 D=3.336×10−30 C⋅m]\mu = q \times d \quad [\text{C·m}; \quad 1\text{ D} = 3.336 \times 10^{-30} \text{ C·m}]

3. MOT Bond Order: Bond Order (BO)=Nb−Na2\text{Bond Order (BO)} = \frac{N_b - N_a}{2} where NbN_b = electrons in bonding MOs, NaN_a = electrons in antibonding MOs.

4. Born-Haber Cycle (Hess's Law): ΔHf∘=ΔHsub+12ΔHdiss+IE+EA+U\Delta H_f^\circ = \Delta H_{sub} + \frac{1}{2}\Delta H_{diss} + IE + EA + U ∴U=ΔHf∘−ΔHsub−12ΔHdiss−IE−EA\therefore \quad U = \Delta H_f^\circ - \Delta H_{sub} - \frac{1}{2}\Delta H_{diss} - IE - EA

5. Lattice Energy (Coulombic approximation): U∝z+×z−r++r−U \propto \frac{z^+ \times z^-}{r^+ + r^-}

6. Born-Landé Equation (exact): U=−NAMz+z−e24πε0r0(1−1n)U = -\frac{N_A M z^+ z^- e^2}{4\pi\varepsilon_0 r_0}\left(1 - \frac{1}{n}\right) where MM = Madelung constant, nn = Born exponent, r0r_0 = interionic distance.

7. Vector Addition of Two Dipoles: μnet=μ12+μ22+2μ1μ2cos⁡θ\mu_{net} = \sqrt{\mu_1^2 + \mu_2^2 + 2\mu_1\mu_2\cos\theta} Special cases: θ=180°\theta=180°: μnet=∣μ1−μ2∣\mu_{net}=|\mu_1-\mu_2|; θ=0°\theta=0°: μnet=μ1+μ2\mu_{net}=\mu_1+\mu_2.

8. Formal Charge: FC=V−N−12BFC = V - N - \frac{1}{2}B where VV = valence electrons, NN = non-bonding electrons, BB = bonding electrons.

MO Filling Orders

For Z≤7Z \leq 7 (mixing): σ1s<σ1s∗<σ2s<σ2s∗<π2p<σ2p<π2p∗<σ2p∗\sigma_{1s} < \sigma^*_{1s} < \sigma_{2s} < \sigma^*_{2s} < \pi_{2p} < \sigma_{2p} < \pi^*_{2p} < \sigma^*_{2p}

For Z>7Z > 7 (no mixing): σ1s<σ1s∗<σ2s<σ2s∗<σ2p<π2p<π2p∗<σ2p∗\sigma_{1s} < \sigma^*_{1s} < \sigma_{2s} < \sigma^*_{2s} < \sigma_{2p} < \pi_{2p} < \pi^*_{2p} < \sigma^*_{2p}

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