Successive Change in Conformation Caused byp-Y Groups in 1-(MeSe)-8-(p-YC6H4Se)C10H6: Role of Linear Se···Se-C Three-Center-Four-Electron versus n(Se)···n(Se) Two-Center-Four-Electron Nonbonded Interactions
Successive Change in Conformation Caused byp-Y Groups in 1-(MeSe)-8-(p-YC6H4Se)C10H6: Role of Linear Se···Se-C Three-Center-Four-Electron versus n(Se)···n(Se) Two-Center-Four-Electron Nonbonded Interactions
复制标题
1-(MeSe)-8-(p-YC6H4Se)C10H6 中 p-Y 基团引起的构象连续变化：线性 Se...Se-C 三中心四电子与 n(Se)...的作用n(Se) 二中心四电子非键相互作用
DOI：
10.1021/jp991910
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发表时间：
1999
影响因子：
2.9
通讯作者：
Tetsutaro Uehara
中科院分区：
文献类型：
--
作者：
W. Nakanishi;S. Hayashi;Tetsutaro Uehara
通过X射线晶体学分析研究了1 -（甲基硒基）- 8 -（对甲氧基苯基硒基）萘（2）和1 -（甲基硒基）- 8 -（对氯苯基硒基）萘（3）的结构。2中Se - Me和Se - C₆H₄OMe - p（Se - CAn）基团周围的结构分别接近A型和B型：如果Se - C键几乎垂直于萘基平面则为A型，当Se - C键位于平面上时为B型。3中Se - Me和Se - C₆H₄Cl - p（Se - CAr）基团周围的结构分别为B型和A型。2和3的非键Se···Se距离分别为3.0951(8)和3.1239(7) Å。3的结构与在1 -（甲基硒基）- 8 -（苯基硒基）萘（1）中观察到的结构非常不同，1的结构为C型，其中两个Se - C键从萘基平面倾斜约45°。3的结构有力地表明了非键n(SeAr)···σ*(Se - CMe)三中心 - 四电子（3c - 4e）型相互作用的贡献。非键n(SeMe)···σ*(Se - CAn) 3c - 4e型相互作用……
The structure of 1-(methylselanyl)-8-(p-anisylselanyl)naphthalene (2) and 1-(methylselanyl)-8-(p-chlorophenylselanyl)naphthalene (3) was studied by X-ray crystallographic analysis. The structures around the Se−Me and Se−C6H4OMe-p (Se−CAn) groups in 2 are close to type A and type B, respectively: type A if the Se−C bond is almost perpendicular to the naphthyl plane and type B when the Se−C bond is placed on the plane. Those around the Se−Me and Se−C6H4Cl-p (Se−CAr) groups in 3 are type B and type A, respectively. The nonbonded Se···Se distances of 2 and 3 are 3.0951(8) and 3.1239(7) A, respectively. The structure of 3 is very different from that observed in 1-(methylselanyl)-8-(phenylselanyl)naphthalene (1), the structure of which is type C, where the two Se−C bonds decline by about 45° from the naphthyl plane. The structure of 3 strongly suggests the contribution of the nonbonded n(SeAr)···σ*(Se−CMe) three-center−four-electron (3c−4e) type interaction. The nonbonded n(SeMe)···σ*(Se−CAn) 3c−4e type intera...