Theoretical prediction on the insertion reactions of stannylenoid H 2 SnLiF with CH 3 X and SiH 3 X (X = F, Cl, Br)

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Theoretical prediction on the insertion reactions of stannylenoid H 2 SnLiF with CH 3 X and SiH 3 X (X = F, Cl, Br)

Wu, Shuo; Yan, Bingfei; Liu, Shaoli; Li, Wenzuo

Journal of molecular graphics & modelling, 06/2024, Letnik: 129

Journal Article

Density functional theory was used to study the insertion reaction of stannylenoid H SnLiF with CH X, SiH X (X = F, Cl, Br). Comparing the reaction barrier of H SnLiF with CH X, SiH X, it can be found that the order of the difficulty of insertion reaction is F > Cl > Br. The insertion reaction potential barrier of SiH X is lower than that of CH X, which means that SiH X is easier to react. According to the calculation results, the reaction law in THF solvent is consistent with that in vacuum, while in THF solvent, the barrier is lower and therefore more prone to reactions. This work provides theoretical support for the reaction properties of stannylenoids.

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Wu, Shuo | Yan, Bingfei | Liu, Shaoli | Li, Wenzuo

Dostop do baze podatkov JCR je dovoljen samo uporabnikom iz Slovenije. Vaš trenutni IP-naslov ni na seznamu dovoljenih za dostop, zato je potrebna avtentikacija z ustreznim računom AAI.

Leto	Faktor vpliva		Izdaja		Kategorija		Razvrstitev
Leto	JCR	SNIP	JCR	SNIP	JCR	SNIP	JCR	SNIP

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