期刊
CHEMICAL PHYSICS LETTERS
卷 422, 期 1-3, 页码 234-239出版社
ELSEVIER
DOI: 10.1016/j.cplett.2006.02.022
关键词
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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.
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