Synthesis, X-ray structure analysis and computational studies of novel bis(thlocarbamoyl) disulfides with non-covalent S•••N and S•••S interactions

被引：22
|
作者：
Saczewski, J [1 ]
Frontera, A
Gdaniec, M
Brzozowski, Z
Saczewski, F
Tabin, P
Quiñonero, D
Deyà, PM
机构：
[1] Med Acad Gdansk, Dept Chem Technol Drugs, PL-80416 Gdansk, Poland
[2] Univ Illes Balears, Dept Chem, Palma de Mallorca 07122, Spain
[3] Adam Mickiewicz Univ, Fac Chem, PL-60780 Poznan, Poland
来源：
CHEMICAL PHYSICS LETTERS | 2006年 / 422卷 / 1-3期
关键词：
D O I：
10.1016/j.cplett.2006.02.022
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
In this Letter, we describe the synthesis of several bis(thiocarbamoyl) disulfides that present interesting intramolecular S center dot center dot center dot N and S center dot center dot center dot S interactions. In one case, crystals suitable for X-ray characterization have been obtained. The non-covalent interactions have been studied analyzing the crystal structure and by means of high level density functional theory (DFT) calculations (RI-PB86/TZVP) using both 'atoms-in-molecules' (AIM) and natural bond orbital (NBO) analyses. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码：234 / 239
页数：6
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