Name: lewis structures with formal charge
Uploaded: 2020-09-03T13:38:28.000Z
Duration: 2 min 42 s
Channel: JoVE

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Formal Charges

Sommige moleculen of polyatomische ionen kunnen worden weergegeven door meerdere Lewis-structuren, maar hoe bepaal je welke de dominante structuur is? Door de formele ladingen van de atomen te berekenen, kan de Lewis-structuur die het dichtst bij de werkelijke structuur van het molecuul ligt, worden bepaald. Elk atoom krijgt een hypothetische lading toegewezen die de formele lading wordt genoemd en die de lading op het atoom zou zijn als alle andere atomen in het molecuul dezelfde elektronegativiteit hadden.Het veronderstelt dat elk bindend elektron gelijkelijk wordt gedeeld door de twee atomen. Denk aan waterstofchloride. Om de formele lading op elk atoom te bepalen, voeg je eerst het aantal niet-bindende elektronen toe aan de helft van het aantal bindende elektronen en trek je vervolgens de verkregen waarde af van het aantal valentie-elektronen.Een totaal van alle formele ladingen in een molecuul of ion is gelijk aan de nettolading van het molecuul of ion. Distikstofoxide kan bijvoorbeeld worden weergegeven door drie mogelijke Lewis-structuren een met twee dubbele bindingen, een met een drievoudige binding tussen de stikstofatomen en een met een drievoudige binding tussen de stikstof en zuurstof die allemaal voldoen aan het octet. De beste Lewis-structuur wordt geïdentificeerd door formele ladingberekeningen.Stikstof heeft vijf valentie-elektronen en zuurstof heeft zes valentie-elektronen. De berekening op basis van het aantal niet-bindende elektronen en de helft van het aantal bindende elektronen geeft de formele lading voor elke structuur. Omdat distikstofoxide een neutraal molecuul is, moet de som van alle formele ladingen nul zijn.Over het algemeen zijn de formele ladingen op de individuele atomen in een dominante Lewis-structuur het dichtst bij nul. Daarom kan de derde structuur met een hogere formele lading worden genegeerd. Bovendien moet een negatieve formele lading, indien aanwezig, worden gedragen door het meest elektronegatieve atoom.Omdat zuurstof elektronegatiever is dan stikstof, wordt de tweede structuur, met de negatieve formele lading op de zuurstof, geïdentificeerd als de dominante structuur voor distikstofoxide. Formele ladingen zijn niet de feitelijke ladingen van moleculen of atomen, maar een boekhoudkundige conventie. De werkelijke lading van het molecuul hangt af van verschillende factoren, waaronder het verschil in elektronegativiteit tussen de samenstellende atomen.

formele ladingen

In sommige gevallen zijn er schijnbaar meer dan één geldige Lewis-structuren voor moleculen en polyatomaire ionen. Het concept van formele ladingen kan worden gebruikt om de meest geschikte Lewis-structuur te helpen voorspellen wanneer er meer dan één redelijke structuur bestaat. 

 <h4>Formele ladingen berekenen</h4> 

 De formele lading van een atoom in een molecuul is de hypothetische lading die het atoom zou hebben als de elektronen in de bindingen gelijkmatig over de atomen verdeeld zouden zijn. Als alternatief ontstaat formele lading wanneer uit het aantal valentie-elektronen van een neutraal atoom eerst de niet-bindende elektronen worden verminderd, gevolgd door het aftrekken van het aantal bindingen dat met dat atoom in de Lewis-structuur is verbonden. 
 De formele ladingen worden dus als volgt berekend:   
 <img alt="Eq1" src="https://www.jove.com/files/core/CDNSource/lessons/1065/1065_Equations-01.png" style="height: 60px;"> 

 De berekeningen van de formele ladingen kunnen worden gecontroleerd door de som van de formele ladingen voor de hele constructie te bepalen. De som van de formele ladingen van alle atomen in een molecuul moet nul zijn; de som van de formele ladingen in een ion moet gelijk zijn aan de lading van het ion. Bedenk dat de formele lading die voor een atoom wordt berekend, niet de werkelijke lading van het atoom in het molecuul is. De formele aanklacht is slechts een nuttige boekhoudprocedure; het duidt niet op de aanwezigheid van daadwerkelijke lading. 

 <h4>Formele lading berekenen op basis van Lewis-structuren</h4> 

 De volgende stappen worden gevolgd om formele ladingen toe te kennen aan elk atoom in het interhalogeenion ICl4−. 

 Stap 1. Verdeel de bindende elektronenparen gelijk voor alle I–Cl-bindingen: 

 <img alt="Figure1" src="https://www.jove.com/files/core/CDNSource/lessons/1065/1065image_1.svg" style="height: 120px;"> 

 Stap 2. Wijs alleenstaande elektronenparen toe aan hun atomen. Aan elk chlooratoom zijn nu zeven elektronen toegewezen, en aan het jodiumatoom zijn er acht. Stap 3. Trek dit getal af van het aantal valentie-elektronen voor het neutrale atoom: Jodium: 7 – 8 = –1 Chloor: 7 – 7 = 0 De som van de formele ladingen van alle atomen is gelijk aan –1, wat identiek is aan de lading van het ion (–1). <h4>Formele lading gebruiken om de moleculaire structuur te voorspellen</h4> De rangschikking van atomen in een molecuul of ion wordt de moleculaire structuur genoemd. In veel gevallen kan het volgen van de stappen voor het schrijven van Lewis-structuren leiden tot meer dan één mogelijke moleculaire structuur  – bijvoorbeeld meerdere verschillende bindingen en elektronenplaatsingen met een enkel paar of verschillende rangschikkingen van atomen. Een paar richtlijnen met betrekking tot formele lading kunnen behulpzaam zijn bij het beslissen welke van de mogelijke structuren het meest waarschijnlijk is voor een bepaald molecuul of ion: <ol> <li>Een moleculaire structuur waarin alle formele ladingen nul zijn, verdient de voorkeur boven een structuur waarin sommige formele ladingen niet nul zijn.</li> <li>Als de Lewis-structuur formele ladingen moet hebben die niet nul zijn, verdient de regeling met de kleinste formele ladingen die niet nul zijn de voorkeur.</li> <li>Lewis-structuren hebben de voorkeur als aangrenzende formele ladingen nul zijn of het tegenovergestelde teken hebben.</li> <li>Bij het kiezen uit verschillende Lewis-structuren met vergelijkbare verdelingen van formele ladingen, verdient de structuur met de negatieve formele ladingen op de meer elektronegatieve atomen de voorkeur.</li> </ol> Om te zien hoe deze richtlijnen van toepassing zijn, overweeg enkele mogelijke structuren voor koolstofdioxide, CO2. Het is bekend dat het minder elektronegatieve atoom doorgaans de centrale positie inneemt, maar formele ladingen helpen begrijpen waarom dit gebeurt. Er kunnen drie mogelijkheden voor de structuur worden getekend: koolstof in het midden met twee dubbele bindingen, de koolstof in het midden met een enkele en drievoudige binding, en zuurstof in het midden met dubbele bindingen.  <img alt="Figure2" src="https://www.jove.com/files/core/CDNSource/lessons/1065/1065image_2.svg" style="height: 80px;"> Bij het vergelijken van de drie formele ladingen kan de structuur aan de linkerkant als de voorkeur worden aangemerkt, omdat deze alleen formele ladingen van nul heeft. Een ander voorbeeld: het thiocyanaat-ion, een ion gevormd uit een koolstofatoom, een stikstofatoom en een zwavelatoom, zou drie verschillende moleculaire structuren kunnen hebben: NCS–, CNS– of CSN–. De formele ladingen die in elk van deze moleculaire structuren aanwezig zijn, kunnen helpen bij het kiezen van de meest waarschijnlijke rangschikking van atomen. Mogelijke Lewis-structuren en de formele ladingen voor elk van de drie mogelijke structuren voor het thiocyanaat-ion zijn: koolstof in het midden met dubbele bindingen, stikstof in het midden met dubbele bindingen en zwavel in het midden met dubbele bindingen.  <img alt="Figure3" src="https://www.jove.com/files/core/CDNSource/lessons/1065/1065Image_3.svg" style="height: 95px;"> Merk op dat de som van de formele ladingen in elk geval gelijk is aan de lading van het ion (–1). De eerste rangschikking van atomen met koolstof in het midden heeft echter de voorkeur omdat deze het laagste aantal atomen heeft met formele ladingen die niet nul zijn. Ook plaatst het het minst elektronegatieve atoom in het midden en de negatieve lading op het meer elektronegatieve element.

Formele ladingen

In some cases, there are seemingly more than one valid Lewis structures for molecules and polyatomic ions. The concept of formal charges can be used to ...

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lewis structures with formal charge

Lewis structures can sometimes show more than one reasonable arrangement for a molecule or polyatomic ion. Formal charge helps chemists choose the best Lewis structure when that happens. It is a useful way to compare possible structures in chemistry.

Formal charge is the hypothetical charge an atom would have if bonding electrons were shared evenly between the atoms. It can also be found by starting with the valence electrons of the neutral atom, subtracting the nonbonding electrons, and then subtracting the number of bonds on that atom in the Lewis structure. This is a bookkeeping tool, not the actual charge on the atom.

The formal charge of a full structure should also be checked as a whole. For a neutral molecule, the sum of all formal charges must be zero. For an ion, the sum of all formal charges should match the ion’s overall charge.

A common example is the interhalogen ion ICl4−. To assign formal charges, the bonding electron pairs are divided equally among the I–Cl bonds. Then lone pairs are assigned to their atoms. In this structure, each chlorine has seven electrons assigned to it, and iodine has eight. That gives iodine a formal charge of −1 and each chlorine a formal charge of 0, which adds up to the −1 charge of the ion.

Formal charge also helps predict molecular structure when several Lewis structures are possible. A structure with all formal charges equal to zero is preferred over one with nonzero charges. If nonzero charges are needed, the best choice has the smallest charges possible. Structures are also preferred when adjacent formal charges are zero or opposite in sign. When several choices are still possible, the negative charge should be on the more electronegative atom.

Carbon dioxide shows why these rules matter. One possible structure has carbon in the center with two double bonds. Other possibilities place carbon between a single and a triple bond, or place oxygen in the center with double bonds. The structure with carbon in the center and two double bonds is preferred because all of its formal charges are zero.

The thiocyanate ion, NCS−, gives another clear example. It can be written with carbon, nitrogen, or sulfur in the center. The formal charges in each possible Lewis structure help identify the most likely arrangement of atoms. The carbon-centered structure is preferred because it has the fewest atoms with nonzero formal charges. It also places the least electronegative atom in the center and the negative charge on the more electronegative element.

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Learn how formal charge helps compare Lewis structures, check total charge, and choose the best arrangement for molecules and ions like CO2 and NCS−.

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Lewis Structures with Formal Charge

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