H3 Chemistry Formula List
H3 Chemistry 9813 spectroscopy, stereochemistry and rate-law relationships with units, conditions and H2 foundations.
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A reference for H3 Chemistry (9813): the additional spectroscopy, stereochemistry and mechanism content, followed by the H2 foundations examined with H3. The three-topic H3 roadmap keeps its own course progress; the H2 material remains part of the examined foundation.
Spectroscopy and molecular orbitals
| Relationship | Symbols and units | When to use it |
|---|---|---|
| c = fλ; E = hf = hc/λ | E J per photon; f Hz; λ m; c m/s; h J s | Absorption/emission requires a photon matching the transition energy gap; convert nm to m. |
| Eₘₒₗₐᵣ = N_Ahc/λ | J/mol of photons; divide by 1000 for kJ/mol | Mole of photons is not automatically a mole of a reacting substance. |
| A = log ₁₀(I₀/I) = ε cl | Absorbance A has no unit; typical c mol/dm³, l cm, ε dm³/(mol cm) | Beer–Lambert law at a fixed wavelength and matching units, within the calibration’s linear range. |
| ν tilde = 1/λ | Wavenumber commonly cm⁻¹; use wavelength in cm | IR spectrum axis; wavenumber is not frequency in Hz. |
| bond order = (N_b-Nₐ)/2 | Electron counts in bonding and antibonding MOs; no unit | Interpret the MO occupancy; nonbonding electrons do not enter this difference. |
NMR, isotope patterns and stereochemistry
| Relationship | Symbols and units | When to use it |
|---|---|---|
| δ = (fₛₐₘₚₗₑ-f_TMS)/f_reference × 10⁶ | Chemical shift in ppm; frequencies in matching units | TMS reference convention at a given field; ppm permits comparison between spectrometers. |
| simple multiplicity = n + 1 | n equivalent neighbouring spin-½ protons | First-order coupling to one equivalent neighbour set; not a universal rule for complex spectra or rapidly exchanging protons. |
| integration ratio = ratio of contributing proton numbers | Integrated peak areas, not peak heights | Use the total area of a multiplet; exchangeable proton areas can be less reliable. |
| N_C ≈ I_(M + 1)/(0.011I_M) | Peak intensities I in matching units | Approximate carbon count when M+1 is dominated by carbon-13; correct for other isotope contributions where needed. |
| enantiomeric excess = | x_R-x_S| × 100% | Mole fractions x_R + x_S = 1 | One enantiomeric pair; equal amounts give zero net rotation. Rotation-based estimates require identical measurement conditions. |
Rate-law patterns
| Relationship | Symbols and units | When to use it |
|---|---|---|
| r = k[substrate] | First-order k commonly s⁻¹ | Simplified SN1 or E1 model when unimolecular ionisation controls rate. |
| r = k[substrate][nucleophile] | Second-order k commonly dm³/(mol s) | SN2 bimolecular step; do not replace nucleophile concentration by solvent concentration without justification. |
| r = k[substrate][base] | Same second-order units | E2 concerted step; geometric access to the eliminated hydrogen also matters. |
A quick application: absorbance
A species has ε = 150 dm³mol⁻¹cm⁻¹ at the selected wavelength. A 1.00 cm cell gives A = 0.600. Then c = A/(ε l) = 0.600/(150 × 1.00) = 4.00 × 10⁻³ mol/dm³. If the measured solution was diluted by a factor of 10.0, its original concentration was 0.0400 mol/dm³.
Do not use a calibration or absorption constant from a different wavelength. The dilution correction belongs after finding the measured solution’s concentration.
H2 foundations examined with H3
Open the H2 formula reference
Moles, composition and reacting quantities
| Relationship | Symbols and units | When to use it |
|---|---|---|
| Mᵣ = ∑ Aᵣ | Mᵣ and Aᵣ have no unit | Include every subscript and bracket multiplier in the formula. |
| n = m/M; m = nM | n mol, m g, M g/mol | Match the mass unit to the molar-mass unit; this does not require a reaction ratio. |
| mean Aᵣ = ∑(A_(r,i) fᵢ) | Fractional isotope abundance fᵢ has no unit; ∑ fᵢ = 1 | For percentage abundances, divide each percentage by 100. |
| total positive charge + total negative charge = 0 | Ionic charges in units of elementary charge | Choose the smallest whole-number ion ratio; never change an ion’s own formula. |
| CₙH₂ₙ₊₂; CₙH₂ₙ | n is the number of carbon atoms | Acyclic alkanes / acyclic alkenes with one double bond; not all hydrocarbons. |
| x = Mᵣ(compound)/Mᵣ(empirical formula) | Whole-number multiplier x; relative masses have no unit | Multiply every empirical-formula subscript by x to obtain the molecular formula; first find the simplest mole ratio. |
| N = nN_A | Particle count N; N_A in mol⁻¹ | Specify the counted entity; N_A ≈ 6.02 × 10²³ mol⁻¹ for calculations. |
| n(A)/a = n(B)/b | Moles; equation coefficients a and b | For aA → bB, use a balanced equation and the limiting reactant. |
| n = V/Vₘ | Gas volume V and molar gas volume Vₘ in matching units | At r.t.p. the school reference is Vₘ = 24 dm³/mol; use the supplied value. |
| c = n/V; n = cV | c mol/dm³; solution volume V dm³ | Convert cm³ to dm³ before substitution: divide by 1000. |
| cₘₐₛₛ = m/V = cM | Mass concentration g/dm³; M g/mol | Distinguish mass concentration from molar concentration. |
| c₁V₁ = c₂V₂ | Matching concentration and volume units | Dilution of the same solute with no reaction; not the general titration equation. |
| c_AV_A/a = c_BV_B/b | Concentrations mol/dm³ and volumes dm³ | Titration at the reacting ratio a:b; equal volumes or equal concentrations need not result. |
Enthalpy and calorimetry
| Relationship | Symbols and units | When to use it |
|---|---|---|
| q = mcΔ T; Δ H = -q/n | q J; mass g; c J/(g K); Δ T K; n mol | For a reaction at constant pressure, q is heat gained by the measured surroundings. Negate for reaction heat, convert J to kJ and use the stated molar basis; neglect losses only if justified. |
| Δ H°ᵣ = ∑νΔ H_f°(products)-∑νΔ H_f°(reactants) | Enthalpy changes kJ/mol; coefficients ν | Same states and standard reference conditions; formation enthalpies of elements in their standard states are zero. |
| Δ H ≈ ∑ E_broken-∑ E_formed | Average bond energies kJ/mol | Approximate gas-phase estimate; count all bonds and use the reaction’s coefficients. |
| Δ H_(route 1) = Δ H_(route 2) | Enthalpy changes for the same initial and final states | Hess’s law; reverse signs and scale enthalpies when reversing or scaling equations. |
Rates and equilibrium
| Relationship | Symbols and units | When to use it |
|---|---|---|
| r = k[A]^m[B]ⁿ; overall order = m + n | Rate commonly mol/(dm³ s); concentration mol/dm³ | Orders are determined from evidence; hold temperature and other concentrations fixed when comparing initial rates. |
| r₂/r₁ = ([A]₂/[A]₁)^m | Dimensionless ratios | Only A changes; factor 2 in concentration and factor 4 in rate implies m = 2. |
| [k] = [r]/[c]^(m + n) | For overall order s: (mol/dm³)^(1-s)s⁻¹ | State the concentration and time units; zero-, first- and second-order constants have different units. |
| K_c = [C]^c[D]^d/([A]^a[B]^b) | Equilibrium concentrations; powers from the balanced equation | For aA + bB ⇌ cC + dD; omit pure solids and pure liquids. Fixed temperature. |
| K_(c,reverse) = 1/K_c; K_(c,scaled) = K_c^s | Scaling factor s multiplies every coefficient | A constant belongs to the exact equation; concentration-based units can change when it is rescaled. |
Acids and bases
| Relationship | Symbols and units | When to use it |
|---|---|---|
| pH = - log ₁₀[H⁺] | Use the numerical concentration in mol/dm³ | School dilute-solution concentration model; base-10 log, not natural log. |
| K_w = [H⁺][OH⁻] | Concentrations mol/dm³; K_w commonly (mol/dm³)² | K_w = 1.00 × 10⁻¹⁴ at 298 K in this model; neutral [H⁺] = [OH⁻]. |
| [H⁺] = c; [OH⁻] = zc | c mol/dm³; z hydroxide ions per formula unit | Completely ionised monobasic strong acid / completely dissociated soluble hydroxide; water’s contribution must be negligible. |
| Kₐ = [H⁺][A⁻]/[HA]; K_b = [BH⁺][OH⁻]/[B] | Equilibrium concentrations mol/dm³ | Define the acid/base reaction with water; distinguish equilibrium concentration from prepared concentration. |
Further H2 physical chemistry
| Relationship | Symbols and units | When to use it |
|---|---|---|
| pV = nRT; pᵢ = xᵢpₜₒₜₐₗ | p Pa; V m³; T K; R = 8.31 J mol⁻¹K⁻¹ | Ideal gas and ideal-gas mixture; xᵢ = nᵢ/nₜₒₜₐₗ. |
| Kₚ = p_C^cp_D^d/(p_A^ap_B^b) | Equilibrium partial pressures in one consistent unit | Gas-phase species in the balanced reaction; do not insert total pressure for each gas. |
| Δ S° = ∑ν S°(products)-∑ν S°(reactants) | Molar entropy J/(mol K) | Use coefficients; standard molar entropies of elements are not zero. |
| Δ G° = Δ H°-TΔ S° | T K; energy units consistent | Convert entropy to kJ/(mol K) if enthalpy is in kJ/mol; negative standard Gibbs change favours reaction from standard-state reactants. |
| [A]ₜ/[A]₀ = (1/2)^(t/t_(1/2)) | Times in matching units | Repeated half-lives for a first-order reactant with constant half-life; integrated rate equations are not required. |
| K_w = KₐK_b; pKₐ = - log ₁₀Kₐ | Same concentration convention throughout | Kₐ and K_b refer to a conjugate pair at the same temperature. |
| [H⁺] ≈ square root of Kₐc; [OH⁻] ≈ square root of K_bc | c mol/dm³ | Weak monoprotic acid / weak monoacidic base alone in water; ionisation small relative to c and water contribution negligible. Check the approximation. |
| pH ≈ pKₐ + log ₁₀([A⁻]/[HA]) | Conjugate base and weak acid concentrations | Buffer after any neutralisation; both partners present in appreciable amounts. Near exhaustion the approximation fails. |
| Kₛₚ = [M^(a +)]^x[X^(b-)]^y | Equilibrium dissolved-ion concentrations | For solid MₓX_y in a saturated solution; ion ratio follows the dissolution equation. |
| E°_cell = E°_cathode-E°_anode | Both tabulated reduction potentials in V | Standard cell conditions; choose the reduction and oxidation half-cells correctly. |
| Δ G° = -nFE°_cell | n electron stoichiometric coefficient; F ≈ 9.65 × 10⁴ C/mol | Δ G° in J/mol for the cell equation; divide by 1000 to express in kJ/mol. |
| Q = It; nₑ = Q/F; n_product = Q/(zF) | Charge C; current A; time s; z electrons per product entity | Constant current and quantitative current efficiency; use the balanced electrode half-equation. |
H3 stopping point
Use the supplied Data Booklet for characteristic IR absorptions. Quantitative LCAO and mathematical steady-state treatment are not required. The NMR energy discussion is qualitative; Fischer projections, fac/mer identification and solvent effects in the SN1/SN2 comparison are outside the specified additional scope.
Return to the H3 course hub for spectra, structures and mechanism reasoning.