INGENIA

ORG-18

Aromatic bromination snapshot

r = k [ArH][Br2]. Electrophilic aromatic substitution rate.

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KineticsElectrophilic aromatic

Governing equation

r=k[ArH][Br2]r=k[\mathrm{ArH}][\mathrm{Br}_2]

[Br2]∈[0.001,1][Br_2] \in \left[0.001, 1\right]

where

k
Rate constant (L/(mol·s))
[ArH]
Arene (mol/L)
[Br_2]
Bromine (mol/L)
r
Rate (mol/(L·s))

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ORG-18 · reactor
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①

Governing law — red

r=k[ArH][Br2]r=k[\mathrm{ArH}][\mathrm{Br}_2]

[Br2]∈[0.001,1][Br_2] \in \left[0.001, 1\right]

[Br2]=0.001[Br_2] = 0.001r=8×10−5r = 8\times 10^{-5}

②

Domain of the variable — blue

[Br2]min⁡=0.001,[Br2]max⁡=1[Br_2]_{\min} = 0.001,\quad [Br_2]_{\max} = 1

[Br2]∈[0.001,1][Br_2] \in \left[0.001, 1\right]

[Br2]=0.001[Br_2] = 0.001[Br2]=0.001[Br_2] = 0.001

③

Response curve — green

r=k[ArH][Br2]r=k[\mathrm{ArH}][\mathrm{Br}_2]

[Br2]∈[0.001,1][Br_2] \in \left[0.001, 1\right]

[Br2]=0.001[Br_2] = 0.001r=8×10−5r = 8\times 10^{-5}

④

Rate of change — amber

drd[Br2]\frac{\mathrm{d}r}{\mathrm{d}[Br_2]}

[Br2]∈[0.001,1][Br_2] \in \left[0.001, 1\right]

[Br2]=0.007[Br_2] = 0.007r′=0.08r^{\prime} = 0.08

Lecture brief

Historical brief

Hammett (1937) and Taft linear free-energy, E-factor green metrics, Woodward–Fieser UV and Claisen equilibria are how organic chemistry became predictive. The lab is substituent, waste and tautomer. This sheet (ORG-18 — Aromatic bromination snapshot) is the form associated with Electrophilic aromatic. Working symbols: kk, [ArH][ArH], [Br2][Br_2] →\rightarrow rr. The Wheland intermediate is the RDS for many ArH. Activating groups raise k.

Purpose

Purpose: compute rr from kk, [ArH][ArH], [Br2][Br_2] in Organic chemistry via r=k[ArH][Br2]r=k[\mathrm{ArH}][\mathrm{Br}_2] r = k [ArH][Br2]. Electrophilic aromatic substitution rate. Use it when a real organic chemistry question must be answered in SI before a code check.

Live realistic example

In symbols

Live case. Given k=0.400 L/(mol⋅s)k = 0.400\,\mathrm{L/(mol·s)}, [ArH]=0.200 mol/L[ArH] = 0.200\,\mathrm{mol/L}, [Br2]=0.050 mol/L[Br_2] = 0.050\,\mathrm{mol/L}, the governing relation r=k[ArH][Br2]r=k[\mathrm{ArH}][\mathrm{Br}_2] yields r=0.00400 mol/(L⋅s)r = 0.00400\,\mathrm{mol/(L·s)}. Second-order snapshot, no catalyst term. Move a slider: the numbers are this situation, not a canned story.

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Outputs

  • Rate r0.00400 mol/(L·s)
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ORG-18 · reactor
00:0 / 00:08

Narration of this film

Second-order snapshot, no catalyst term.

The Wheland intermediate is the RDS for many ArH. Activating groups raise k.

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