【摘 要】
：
In order to explore the existence of α-effect in gas-phase SN2@N reactions, and to compare its similarity and difference with the SN2@C counterparts, we have c
【机 构】
：
CollegeofChemistry,andKeyStateLaboratoryofBiotherapy,SichuanUniversity,Chengdu610064
论文部分内容阅读
In order to explore the existence of α-effect in gas-phase SN2@N reactions, and to compare its similarity and difference with the SN2@C counterparts, we have carried out a theoretical study on the reactivity of six o-oxy-Nus(FO-, ClO-, BrO-, HOO-, HSO-, H2NO-) in the SN2 reactions towards NR2Cl (R =H, Me) and RCl (R =Me, i-Pr) using the G2(+)Mtheory.
其他文献
Marcus theory was verified to violate the law of conservation of energy in our previous paper,[1] but some readers didnt accept this conclusion.[2] The main rea
The rate constants for the reactions of a variety of nucleophiles reacting with substituted benzyl chlorides in liquid ammonia (LNH3) have been determined.To fu
质子转移反应是一类非常重要的化学反应,质子转移反应热力学和动力学一直是物理有机化学家们一个重点研究的内容.[1]经过化学家们近百年的努力,到目前为止,大多数重要的有机
Hydride transfer reaction is one kind of the most important and fundamental chemical reactions.Although therere feasible method to predict hydride compounds BDE
近年来,在纳米材料的表面连接生物活性物质,利用纳米材料负载或包结药物和生物分子,进而发展和制备具有高度生物兼容性和靶向性的纳米功能材料,已成为癌症医学领域里一项重要
卟啉大环扭曲是血红蛋白的一个关键结构特征.[1]研究显示,大环扭曲的方式和扭曲度联合决定卟啉核尺寸的缩与放,[2]扭曲度的改变还伴随着有规律的光谱红移[3]和meso-基旋转能
化学选择性的酮酸和羟胺缩合反应是有机合成的一个重要分支,并在药物分子及蛋白质合成中具有良好的应用价值.最近,Bode小组发展了一种α-酮酸和羟胺缩合选择性生成酰胺键的方
Simply by introducing steric side chains the shape-persistent cyclo[6]aramides containing three-center hydrogen bonds were found to exhibit non-aggregational be
碳氢键官能团化反应是当前有机化学的研究热点之一,通常需要昂贵,有毒的过渡金属.近年来,我们课题组发展了自由基条件下的碳-氢键官能团化反应.我们的反应以四丁基碘化铵(TBA
多环化合物广泛存在于天然产物、生物活性分子和合成药物中.[1]此外,稠合多环芳香族化合物在材料研究和生产中也有广泛的应用.[2]本课题组对醋酸锰引发的膦自由基与不饱和体