Name: lewis structures with formal charge
Uploaded: 2020-09-03T13:38:28.000Z
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PS.Chm.3.1

Formal Charges

分子や多原子イオンの中には 複数のルイス構造で 表現できるものもありますが どの構造が支配的なのかは どう判断すればよいでしょうか？原子の形式電荷を計算することで 分子の実際の構造に最も近い ルイス構造を 決定することができます これは 分子内の 他のすべての原子が 同じ電子陰性度を 持っていた場合の 原子の電荷です これは 各結合電子が 2つの原子で等しく 共有されていると 仮定しています 塩化水素を考えてみましょう 各原子の 形式電荷を求めるには まず 非結合電子の数を 結合電子の数の半分に加え 得られた値を価電子の数から 減算します 分子またはイオン中の すべての形式電荷の集合体は その分子またはイオンの 正味の電荷に等しくなります 例えば 亜酸化窒素は 3つの可能な ルイス構造で 表現することができます 2つの二重結合を持つものや 原子間の三重結合を持つもの 窒素と酸素の間の 三重結合を持つものなど すべてオクテットを 満たしています 最適なルイス構造は 正式な電荷計算によって 同定されます 窒素は5つの価電子を持ち 酸素は6つの 価電子を持っています 非結合電子の数と 結合電子の数の 半分の数に基づいて計算すると それぞれの構造の 正式な電荷が得られます 亜酸化窒素は 中性分子なので すべての形式電荷の和は ゼロである必要があります 一般的に 支配的な ルイス構造の個々の 原子の形式電荷は ゼロに最も近くなります したがって より高い形式電荷を 持つ第三の構造は 無視することができます さらに 負の形式電荷が 存在する場合は 最も電子陰性の原子によって 運ばれなければなりません 酸素は窒素よりも 電子陰性であるため 酸素に負の形式電荷を持つ 第二の構造が 亜酸化窒素の支配的な 構造であると特定されます 形式電荷とは 分子や原子の 実際の電荷ではなく 計算上の慣習です 分子の実際の電荷は 構成原子間の 電子陰性度の違いなど いくつかの要因に依存します

形式電荷

場合によっては、分子や多原子イオンには2つ以上の有効なルイス構造があるように見えることがあります。複数の有効なルイス構造が存在する場合、形式電荷の概念を用いて、最も適切なルイス構造を予測することができます。 
 
 <h4>形式電荷の計算 </h4>
 
 分子内の原子の形式電荷とは、結合中の電子が原子間で均等に分配された場合に原子が持つであろう仮定の電荷のことです。また、中性原子の価電子の数から、まず非結合電子を減らし、次にその原子に結合しているルイス構造の結合の数を引くと、形式電荷が生じます。 
 
 したがって、形式電荷は次のように計算されます。  
 
 <img alt="Eq1" src="https://www.jovecore.com/CDNSource/lessons/1065/1065_Equations-01.png" style="height: 60px;" />
 
 形式電荷の計算は、構造全体の形式電荷の合計を求めることで、再確認することができます。分子内のすべての原子の形式電荷の合計はゼロでなければならず、イオンの形式電荷の合計はイオンの電荷と等しくなければなりません。原子について計算された形式電荷は、分子内の原子の実際の電荷ではないことを覚えておいてください。形式電荷は、便利な机上の手続きに過ぎず、実際の電荷の存在を示すものではありません。 
 
 <h4>ルイス構造から形式電荷を計算 </h4>
 
 以下の手順に従って、ハロゲン間イオンICl4−の各原子に正式な電荷を割り当てます。 
 
 手順 1 ： 結合電子ペアをすべての I – Cl 結合に対して均等に分割します。 
 
 <img alt="Figure1" src="https://www.jovecore.com/CDNSource/lessons/1065/1065image_1.svg" style="height: 120px;" />
 
 手順 2 ：原子に 1 対の電子を割り当てます。 各塩素原子には 7 つの電子が割り当てられ、ヨウ素原子には 8 つの電子が割り当てられています。 
 
 手順 3 ： 中性原子の価電子の数からこの数を減算します。 
 ヨウ素： 7 – 8 = – 1 
 塩素： 7 – 7 = 0 
 すべての原子の形式電荷の合計は -1 で、これはイオンの電荷（ -1 ）と同じです。 
 
 <h4>分子構造を予測するために形式電荷を使用する </h4>
 
 分子やイオンの中の原子の配置を分子構造といいます。多くの場合、ルイス構造を書く手順に従うと、複数の異なる結合や一対電子の配置、あるいは異なる原子の配置など、複数の可能性のある分子構造になることがあります。例えば、複数の異なる結合や一対電子の配置、異なる原子の配置などです。形式電荷に関するいくつかのガイドラインは、特定の分子やイオンについて、可能性のある構造のうちどれが最も可能性があるかを決定するのに役立ちます。 
 
 <ol>
 <li>すべての形式電荷がゼロである分子構造は、いくつかの形式電荷がゼロではない分子構造よりも好ましいです。 </li>
 <li>ルイス構造が非ゼロの形式電荷を持たなければならない場合、非ゼロの形式電荷が最小の配列が望ましいです。 </li>
 <li>ルイス構造は、隣接する形式電荷がゼロまたは逆符号の場合に適しています。 </li>
 <li>形式電荷の分布が似ている複数のルイス構造から選択する場合、より電気陰性な原子に負の形式電荷がある構造が望ましいです。 </li>
 </ol>
 
 これらのガイドラインがどのように適用されるかを見るために、二酸化炭素（CO2）の構造をいくつか考えてみましょう。一般的に、電気陰性度の低い原子が中心の位置を占めることが知られていますが、形式電荷は、これがなぜ起こるのかを理解するのに役立ちます。中央の炭素が2つの二重結合を持つ構造、中央の炭素が単結合と三重結合を持つ構造、中央の酸素が二重結合を持つ構造の3つの可能性を描くことができます。
 
 <img alt="Figure2" src="https://www.jovecore.com/CDNSource/lessons/1065/1065image_2.svg" style="height: 80px;" />
 
 3つの形式電荷を比較すると、左の構造は形式電荷がゼロだけなので、好ましい構造であることがわかります。 
 
 別の例として、炭素原子、窒素原子、硫黄原子から形成されるイオンであるチオシアン酸イオンは、3つの異なる分子構造を持つことができます。NCS-、CNS-、CSN-。これらの分子構造に含まれる形式電荷は、最も可能性の高い原子の配置を選ぶのに役立ちます。チオシアネートイオンの3つの可能な構造について、考えられるルイス構造とそれぞれの形式電荷は、中心に二重結合を持つ炭素、中心に二重結合を持つ窒素、中心に二重結合を持つ硫黄です。
 
 <img alt="Figure3" src="https://www.jovecore.com/CDNSource/lessons/1065/1065Image_3.svg" style="height: 95px;" />
 
 なお、いずれの場合も、形式電荷の合計はイオンの電荷（-1）と等しいです。しかし、炭素を中心とした最初の原子配列が好ましいのは、ゼロでない形式電荷を持つ原子の数が最も少ないからです。また、最も電気陰性度の低い原子を中心に置き、より電気陰性度の高い元素に負電荷を与えることができます。 
 
 本書は <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 から引用したものです。</a>

場合によっては、分子や多原子イオンに対して有効なルイス構造が複数存在するように見えます。正式な料金の概念は、次の目的で使用できます...

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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.

Lewis Structures with Formal Charge

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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...

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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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	...

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Intermolecular forces (IMF) are electrostatic attractions arising from charge-charge interactions between molecules. The strength of the intermolecular ...

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions ...

comparing-intermolecular-forces-melting-point-boiling-point

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility

Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, ...

surface-tension-capillary-action-and-viscosity

Surface Tension, Capillary Action, and Viscosity

Surface Tension
The various IMFs between identical molecules of a substance are examples of cohesive forces. The molecules within a liquid are surrounded ...

Construct an explanation to summarize the influences intermolecular forces have on the properties of chemical compounds.

PS.Chm.3.2

Analyze the structure of atoms and isotopes.

Lewis Structures with Formal Charge

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