Castillo N, Robertson KN, Choi SC, Boyd RJ, Knop O (2008) Bond length and the electron density at the bond critical point: X-X, Z-Z, and C-Z bonds (X = Li-F, Z = Na-Cl). J Comput Chem 29(3):367-379N. Castillo, K.N. Robertson, S.C. Choi, R.J. Boyd, O. Knop,...
The equilibrium C-H bond length has been determined up to now for about 40 polyatomic molecules. These data are used to demonstrate the existence of quantitative correlations between r e (C-H), isolated C-H bond stretching frequency and average distance r g . It is also shown that ab ini...
5A, i)73. C–H arylation of arenes were performed using aryldiazonium salts as coupling partner in the presence of Pd(OAc)2, Ru(bpy)3Cl2.6H2O, and 26 W visible-light source. They used a variety of ortho-directing groups such as amides, pyrazoles, oxime ethers, and pyrimidines for...
The aim was to investigate the relationship between the bond length and the electron density at the bond critical point in homonuclear XX and ZZ and heteronuclear CZ bonds (X = Li-F, Z = Na-Cl). The d ,c pairs were obtained from 472 target bonds in DFT-optimized (B3LYP/6-311+G(d...
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成键的轨道不同，碳元素是2p轨道参与成键X（卤素）是np(n>=2)轨道参与成键（肩碰肩）。C-F,C-Cl,C-Br,C-I,逐渐减弱是因为卤原子的半径增大，轨道的匹配性逐渐减弱。键也就减弱。而氢是1s成键。头碰头的方式成键的。所以强度大。通常δ键>π键。
In addition, it is needed to study for [NH2(CH3)n]2BX428,29,30,31,32,33, which has a different hydrogen-bond structure from [NH3(CH2)nNH3]BX4, which has three H atoms bonded to one N. The overall structure of these materials consists of a 1D inorganic network. The isolated ...
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