Name: lewis structures with formal charge
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Chemistry

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Formal Charges

Bazı moleküller veya çok atomlu iyonlar birden fazla Lewis yapısı ile temsil edilebilir, ancak hangisinin baskın yapı olduğuna nasıl karar verilir? Atomların biçimsel yükleri hesaplanarak, molekülün molekülün gerçek yapısına en yakın Lewis yapısı belirlenebilir. Her atoma, moleküldeki diğer tüm atomlar aynı elektronegatifliğe sahipmiş gibi, atom üzerindeki yük olacak olan biçimsel yük adı verilen varsayımsal bir yük atanır.Her bir bağ elektronunun iki atom tarafından eşit olarak paylaşıldığını varsayar. Hidrojen klorürü ele alalım. Her bir atomdaki biçimsel yükü belirlemek için önce bağlanmayan elektronların sayısını bağ elektronlarının sayısının yarısına ekleyin ve sonra elde edilen değeri valans elektronlarının sayısından çıkarın.Bir molekül veya iyondaki tüm biçimsel yüklerin bir toplamı, molekül veya iyonun net yüküne eşittir. Örneğin, nitröz oksit üç olası Lewis yapısı ile temsil edilebilir biri iki çift bağlı, biri nitrojen atomları arasında üçlü bağ ve diğeri nitrojen ve oksijen arasında üçlü bağ şeklindedir ve hepsi okteti tamamlar. En iyi Lewis yapısı, formal yük hesaplamaları ile tanımlanır.Azot'un beş valans elektronu ve oksijenin altı valans elektronu vardır. Bağlayıcı olmayan elektronların sayısı ve bağlanan elektronların sayısının yarısına dayanan hesaplama, her yapı için formal yükü verir. Çünkü azot oksit nötr bir molekül olduğu için tüm formal yüklerin toplamının sıfır olması gerekir.Genel olarak, baskın bir Lewis yapısındaki tek tek atomlar üzerindeki formal yükler sıfıra en yakın olanıdır. Bu nedenle, daha yüksek formal yüke sahip üçüncü yapı göz ardı edilebilir. Ek olarak, eğer varsa, negatif bir formal yük en elektronegatif atom tarafından taşınmalıdır.Oksijen nitrojenden daha elektronegatif olduğundan, oksijen üzerinde negatif formal yüke sahip ikinci yapı, nitröz oksit için baskın yapı olarak tanımlanır. Formal yükler, moleküllerin veya atomların gerçek yükleri değil, bir hesaplamadır. Molekülün gerçek yükü, kurucu atomlar arasındaki elektronegatiflik farkı da dahil olmak üzere birkaç faktöre bağlıdır.

formal yükler

Bazı durumlarda moleküller ve poliatomik iyonlar için görünüşte birden fazla geçerli Lewis yapısı vardır. Formal yükler kavramı, birden fazla makul yapı mevcut olduğunda en uygun Lewis yapısını tahmin etmeye yardımcı olmak için kullanılabilir.
 
 <h4>Formal Yüklerin Hesaplanması</h4>
 
 Bir moleküldeki bir atomun formal yükü, bağlardaki elektronlar atomlar arasında eşit olarak dağılırsa, atomun sahip olacağı varsayımsal yüktür. Alternatif olarak, formal yük, nötr bir atomun değerlik elektronlarının sayısından, bağlanmayan elektronlar ilk önce azaltıldığında ve ardından Lewis yapısındaki bu atoma bağlı bağların sayısının çıkarılmasıyla sonuçlanır..
 
 Böylece, formal yük aşağıdaki gibi hesaplanır:  
 
 <img alt="Eq1" src="https://www.jovecore.com/CDNSource/lessons/1065/1065_Equations-01.png" style="height: 60px;" />
 
 Formal yük hesaplamaları, tüm yapı için formal yüklerin toplamı belirlenerek iki kez kontrol edilebilir. Bir moleküldeki tüm atomların formal yüklerinin toplamı sıfır olmalıdır; bir iyondaki formal yüklerin toplamı, iyonun yüküne eşit olmalıdır. Bir atom için hesaplanan formal yükün, moleküldeki atomun gerçek yükü olmadığını unutmayın. Formal yük, yalnızca yararlı bir defter tutma prosedürüdür; gerçek yüklerin varlığını göstermez.
 
 <h4>Lewis Yapılarından Formal Yükün Hesaplanması</h4>
 
 Aşağıdaki adımlar, interhalojen iyon ICl4−'deki her bir atoma formal yükler atamak için izlenir.
 
 Adım 1. Bağ elektron çiftlerini tüm I–Cl bonds bağları için eşit olarak bölün:
 
 <img alt="Figure1" src="https://www.jovecore.com/CDNSource/lessons/1065/1065image_1.svg" style="height: 120px;" />
 
 Adım 2. Elektronların yalın çiftlerini atomlarına atayın. Her bir klor atomu artık kendisine atanmış yedi elektrona sahiptir ve iyot atomu sekiz elektrona sahiptir.
 
 Adım 3. Bu sayıyı nötr atom için değerlik elektronlarının sayısından çıkarın: 
 İyot: 7 – 8 = –1 
 Klor: 7 – 7 = 0 
 Tüm atomların formal yüklerinin toplamı –1'e eşittir, bu da iyonun yüküyle aynıdır (–1).
 
 <h4>Moleküler Yapıyı Tahmin Etmek İçin Formal Yükü Kullanma</h4>
 
 Atomların bir molekül veya iyondaki dizilişine moleküler yapısı denir. Pek çok durumda, Lewis yapılarını yazmak için olan adımları takip etmek, birden fazla olası moleküler yapıya yol açabilir — örneğin, çoklu farklı bağlar ve yalın çift elektron yerleşimleri veya farklı atom düzenlemeleri. Formal yükü içeren birkaç kılavuz, belirli bir molekül veya iyon için olası yapılardan hangisinin en olası olduğuna karar vermede yardımcı olabilir:
 
 <ol>
 <li>Tüm formal yüklerin sıfır olduğu bir moleküler yapı, bazı formal yüklerin sıfır olmadığı bir yapıya tercih edilir.</li>
 <li>Lewis yapısının sıfır olmayan formal yüklere sahip olması gerekiyorsa, sıfır olmayan en küçük formal yüklerle düzenleme tercih edilir.</li>
 <li>Lewis yapıları, bitişik formal yükler sıfır olduğunda veya zıt işaretli olduğunda tercih edilir.</li>
 <li>Benzer formal yük dağılımlarına sahip birkaç Lewis yapısı arasından seçim yaparken, daha elektronegatif atomlar üzerindeki negatif formal yüklü yapı tercih edilir.</li>
 </ol>
 
 Bu yönergelerin nasıl geçerli olduğunu görmek için, karbondioksit,, CO2 için bazı olası yapıları düşünelim. Daha az elektronegatif atomun tipik olarak merkezi konumu işgal ettiği bilinmektedir, ancak formal yükler bunun neden meydana geldiğini anlamaya yardımcı olur. Yapı için üç olasılık çizilebilir: merkezde iki çift bağı bulunan karbon, merkezde tek ve üçlü bağı bulunan karbon ve merkezde çift bağı olan oksijen. 
 
 <img alt="Figure2" src="https://www.jovecore.com/CDNSource/lessons/1065/1065image_2.svg" style="height: 80px;" />
 
 Üç formal yükü karşılaştırırken, soldaki yapı tercih edilebilir olarak belirlenebilir çünkü yalnızca sıfır formal yüke sahiptir.
 
 Başka bir örnek olarak, bir karbon atomu, bir nitrojen atomu ve bir sülfür atomundan oluşan bir iyon olan tiosiyanat iyonunun üç farklı moleküler yapısı olabilir: NCS–, CNS– veya CSN–. Bu moleküler yapıların her birinde bulunan formal yükler, atomların en olası düzenlemesini seçmeye yardımcı olabilir. Muhtemel Lewis yapıları ve tiyosiyanat iyonu için olası üç yapının her biri için formal yükler - merkezde çift bağlı karbon, merkezde çift bağlı nitrojen ve merkezde çift bağlı kükürt. 
 
 <img alt="Figure3" src="https://www.jovecore.com/CDNSource/lessons/1065/1065Image_3.svg" style="height: 95px;" />
 
 Her durumda formal yüklerin toplamının iyonun yüküne (–1) eşit olduğuna dikkat edin. Bununla birlikte, merkezde karbon bulunan atomların ilk dizilimi, sıfır olmayan formal yüklü en düşük atom sayısına sahip olduğu için tercih edilir. Ayni zamanda bu dizilimde en düşük elektronegatif atom merkezdedir ve negatif yük ise daha elektronegatif elementtedir.
 
 Bu metin bu kaynaktan uyarlanmıştır: <a href="https://openstax.org/books/chemistry-2e/pages/7-4-formal-charges-and-resonance">Openstax, Chemistry 2e, Chapter 7.4 Formal Charges and Resonance.</a>

Formal Yükler

Bazı durumlarda, moleküller ve çok atomlu iyonlar için görünüşte birden fazla geçerli Lewis yapısı vardır. Resmi masraflar kavramı şu amaçlarla kullanılabilir:

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Chemical Bonding: Basic Concepts

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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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Lewis Structures with Formal Charge

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