80047-73-0Relevant academic research and scientific papers
Unusual saddle-like structure of (2-MeOC6H4CS) 2S: Theoretical studies and comparison with its oxygen isologues
Niyomura, Osamu,Kito, Yuka,Kato, Shinzi,Ishida, Masaru,Ebihara, Masahiro,Hayashi, Satoko,Nakanishi, Waro
supporting information, p. 2508 - 2520 (2013/04/10)
Compound (2-MeOC6H4CS)2S (1) showed an unusual saddle structure in which the -C(=S)-S-C(=S)- moiety is planar and two benzene rings lie a face-to-face and the distances (3.07 A) between the central sulfur atom and two 2-methoxy oxygen atoms are within the sum of van der Waals radii of the both atoms. However, the results of MO calculation at the B3LYP/6-311+G(2d, p) level showed no orbital interaction between both atoms. From the results of the calculations at the MP2 level, it was deduced that the crystal packing effect is important for such densely packed crystal, due to its less effective volume. On the other hand, the para-methoxy derivative (4-MeOC6H4CS)2S (2) in which the two methoxy oxygen atoms are not able to contact with the central sulfur atom shows an L-shaped structure in which the -C(=S)-S-C(=S)- moiety is not planar. The -C(=O)-S-C(=S)- moiety in compound (2-MeOC6H4CO)(2- MeOC6H4CS)S (3b) shows an L-shaped structure, though the two methoxy oxygen atoms are in intramolecular contact with the central sulfur atom. The deep blue to green colors of compounds 1 and 2 and the deep violet color of compound 3b are due to transitions of the lone-pair electrons in the HOMO (ψ87) of the thiocarbonyl sulfur atom to the LUMO (ψ89)and of those in the HOMO (ψ83) of the thiocarbonyl sulfur atom to the LUMO (ψ85), respectively. Copyright
The first isolation and structural analysis of chalcogenocarboxylato samarium complexes, [(RCOS)3Sm(thf)2] and [Na(thf)4] [Sm(RCSS)4]; the alkali metal salt-like reaction and the insertion reaction of imine to the Sm-S bond
Kanda, Takahiro,Ibi, Mitsuo,Mochizuki, Ken-Ichi,Kato, Shinzi
, p. 957 - 958 (2007/10/03)
The first chalcogenocarboxylato lanthanid complexes, [(RCOS)3Sm(thf)2] and [Na(thf)4][Sm(RCSS)4](R=4-MeC6H4) were isolated and characterized crystallographically. They exhibit an alkali metal salt-like reaction such as S-esterification and an insertion reaction of C=N to the Sm-S bond.
The Preparation and Some Reactions of Unsymmetrical Acyl Thioacyl Sulfides
Kato, Shinzi,Sugino, Katsumi,Matsuzawa, Yukihiko,Katada, Tomonori,Noda, Ippei,et al.
, p. 1798 - 1811 (2007/10/02)
A number of unsymmetrical acyl thioacyl sulfides have been prepared and characterized by the reaction of piperidinium or sodium dithiocarboxylates with acyl chlorides or by desulfurization reaction of acyl thioacyl disulfides with triphenylphosphine.They are deep blue oils or light green crystals and very unstable thermally and for moisture.The n --> ?* transitions of the thiocarbonyl group of 1 appear in higher wave length region than those of the corresponding symmetrical bis(thioacyl) sulfides .Some reactions with nucleophiles are discussed.It was found that the symmetricallization reaction of these unsymmetrical acyl thioacyl sulfides occurs in the presence of base such as lithium ethanethiolate to give the symmetrical bis(thioacyl) disulfides in fair yield.
