井冈山大学学报（自然科学版）
井岡山大學學報（自然科學版）
정강산대학학보（자연과학판）
JOURNAL OF JINGGANGSHAN UNIVERSITY(SCIENCE AND TECHNOLOGY)
2013年
4期
28-32
,共5页
1,3-二硫醚-2-硫酮-4,5-二硫烯%电荷转移配合物%合成%晶体结构%表征
1,3-二硫醚-2-硫酮-4,5-二硫烯%電荷轉移配閤物%閤成%晶體結構%錶徵
1,3-이류미-2-류동-4,5-이류희%전하전이배합물%합성%정체결구%표정
2-thioxo-1,3-dithiole-4,5-dithiolene%charge transfer complex%synthesis%crystal structure%symptom
设计合成了一种电荷转移配合物，[N-(4-氟-苄基)-3,5-二甲基吡啶][Ni(dmit)2]，其中dmit=1,3-二硫醚-2-硫酮-4,5-二硫烯，并对其进行了元素分析和红外光谱表征，用X-射线单晶衍射仪测定了配合物的结构。结果表明，此配合物属于单斜晶系，P21/c 空间群，晶胞参数为：a=8.1372(9), b=27.549(3), c=11.7528(13)?,β=93.163(2)°, V=2630.6(5)?3, C20H15FNNiS10, Mr=667.64, Dc=1.686 g/cm3, S=1.003, Z=4, F(000)=1356,一致性因子分别为R1=0.0352，wR2=0.1036。[Ni(dmit)2]-二聚体通过侧基上硫原子间的堆积作用，形成了二维片状结构。
設計閤成瞭一種電荷轉移配閤物，[N-(4-氟-芐基)-3,5-二甲基吡啶][Ni(dmit)2]，其中dmit=1,3-二硫醚-2-硫酮-4,5-二硫烯，併對其進行瞭元素分析和紅外光譜錶徵，用X-射線單晶衍射儀測定瞭配閤物的結構。結果錶明，此配閤物屬于單斜晶繫，P21/c 空間群，晶胞參數為：a=8.1372(9), b=27.549(3), c=11.7528(13)?,β=93.163(2)°, V=2630.6(5)?3, C20H15FNNiS10, Mr=667.64, Dc=1.686 g/cm3, S=1.003, Z=4, F(000)=1356,一緻性因子分彆為R1=0.0352，wR2=0.1036。[Ni(dmit)2]-二聚體通過側基上硫原子間的堆積作用，形成瞭二維片狀結構。
설계합성료일충전하전이배합물，[N-(4-불-변기)-3,5-이갑기필정][Ni(dmit)2]，기중dmit=1,3-이류미-2-류동-4,5-이류희，병대기진행료원소분석화홍외광보표정，용X-사선단정연사의측정료배합물적결구。결과표명，차배합물속우단사정계，P21/c 공간군，정포삼수위：a=8.1372(9), b=27.549(3), c=11.7528(13)?,β=93.163(2)°, V=2630.6(5)?3, C20H15FNNiS10, Mr=667.64, Dc=1.686 g/cm3, S=1.003, Z=4, F(000)=1356,일치성인자분별위R1=0.0352，wR2=0.1036。[Ni(dmit)2]-이취체통과측기상류원자간적퇴적작용，형성료이유편상결구。
A new charge transfer complex, [N-(4-fluorobenzyl)-3,5-dimethylpyridinium] [Ni(dmit)2] (1), in which dmit is same as 4,5-dimercapto-1,3-dithiole-2-thione, has been prepared and characterized by elemental analysis, IR and single-crystal X-ray diffraction. 1 crystallizes in the space group P21/c of the monoclinic system with eight formula units in a cell: a = 8.1372(9), b = 27.549(3), c = 11.7528(13) ?, β = 93.163(2)°, V = 2630.6(5) ?3, C20H15FNNiS10, Mr = 667.64, Dc = 1.686 g/cm3, S = 1.003, Z = 4, F(000) = 1356, R1 = 0.0352 and wR2=0.0.1036. The anions of [Ni(dmit)2]-stacks into dimers, which further construct into a 2-D framework structure through lateral S…S interactions.
