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化学屋さんだって数学するんで
す!
パヤシ
2019/03/17 ロマンティック数学ナイトプライム京都
数学にちょっとネガティブな印象を持ってる
化学屋さんの数学との奮闘を紹介
テーマは
「数学が示唆する存在をこの目で確認」
化学屋さんに質問 「あなたにとって数学は?」
苦手
43%
好きじゃな
い
22%
好き
14%
高校までな
ら
14%
ヤバイ
7%
サンプル群;私の近所にいた研究員
「苦手」
・あの記号が分からん
・色んな分野があってこんがらがる
「好きじゃない」
・“ここは自明なので省略”ってそこ教えろ
・仕事で学んだと思ったらそこはまだ入り口だった
「好き」
・なんか好き
「高校までなら」
・解析学で単位落とした
「ヤバイ」
・とにかくヤバイ
むっちゃ広い!」
自然科学(化学含む)における数学の強さ
理論物理学者
1963年ノーベル物理学賞
写真はwikipediaより引用
。
1960年の論説タイトルより
Eugene Paul Wigner (1902–
1995)
なんで数学がこんなに役に立つんや!(#゚Д゚)
The unreasonable effectiveness of mathematics in the natural sciences
「自然科学における数学の理不尽なまでの有効さ」
数学と自然の素敵な関係
109.5°
𝟐
1
白銀長方形
マラルディの角度
菱形十二面体 ガーネットの結晶メタンの構造
黄金長方形
Φ
1
109.5°
菱形三十面体 ペンローズタイル (Al-Pd-Mn)合金の準結晶
画像はWikipediaより
そんな数学の強さを見せつけられた分野で
「多面体」
「量子力学」
を紹介
「多面体」
とあるグラフ理論の多面体
4価(各頂点から4つの辺)
の多面体群を示す
グラフ理論からの式
Q = h2 + k2
D. Fujita, Y. Ueda, . Sato, N Mizuno, T Kumasaka and M. Fujita, Nature, 2016, 540, 563-566.
熱力学的に安定な構造に
自然とくっつけさせる自己集合のイメージ
ブロックのイメー
ジ
分子サイズのレゴブロック
(正・半正)多面体を作ってみよう!
MnL2n型錯体の合成一覧
正八面体 立方八面体 斜方立方八面体 二十・十二面
体
半正多面体
(アルキメデス多面体)
正多面体
(プラトン多面体)
① 各頂点に4つの辺
② 辺の長さは同一。
斜方二十・十二面体
半正多面体
イメージはSPring8のプレスリリースから
引用。
「ねじれた面構造」を許す多面体ができた
≡
M30L60 4価のゴールドバーグ多面
体
(特徴量Q=5)ゴールドバーグ多面体(Goldberg Polyhedron):
数学者Michael Goldbergが1937年報告した「ねじれた面構造」を許す多面
体
イメージはJSTプレスリリースから引
用。
もっと大きな多面体も出来た
M48L9
6
4価のゴールドバーグ多面体
(特徴量Q=8)
≡
D. Fujita, Y. Ueda, . Sato, N Mizuno, T Kumasaka and M. Fujita, Nature, 2016, 540, 563-566.
左図: 単結晶X線構造解析→最大エントロピー法による電子密度マップ
。
結晶作成に2-3か月。
結晶構造の70-75%はvoid space
タンパク質結晶クラスの分解能2.85Å
右図: 模式図。
もっと大きな多面体もできるかも?
・原子サイズの自然法則を示す方程式
・電子の粒子と波動の二重性を統合するために考案
・確率論的に反応が起こる事を示唆
みんな大好きシュレディンガー方程式
実際に確率論的に反応するか見てみましょう
「原子分解能単分子実時間電子顕微鏡イメージング(SMART-TEM)」
・カーボンナノチューブを試験管に反応観察
外の筒がカーボンナノチューブ
中の赤色のボールがC60フラーレン
イメージ 電顕イメージ
図は東京大学プレスリリースより引用
https://www.s.u-tokyo.ac.jp/ja/press/2017/5616/#a4
確率論で起こる反応の数を見て数えよう
電子線
[2+2]環化
Retro
環化
C-C再構築
つながっている様子を目で見て確認できる
実際に数えてみた
化学反応は確率論的に起こるが統計学的には一定の法則で
ある事を観察で実証
(今回は一次の式)
イメージは東京大学プレスリリースより引用
https://www.s.u-tokyo.ac.jp/ja/press/2017/5616/#a4
量子力学の予測が正しいことが分かった!
最後に
数学勢のみんな!
オラに知恵を分けてくれ!!
野沢雅子風に

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化学屋さんだって数学するんです!