Theoretical calculation p K a values of phthalhydrazide derivatives in its aqueous solutions
作者: Yanhong LiuYan FuJing WangBingchun XueErbao Liu
作者单位: 1Shanxi Normal University
刊名: Russian Journal of Physical Chemistry B, 2017, Vol.11 (5), pp.722-728
来源数据库: Springer Journal
DOI: 10.1134/S1990793117050049
关键词: P K a valuePhthalhydrazide derivativeCalculateReaction condition
英文摘要: The p K a values of some phthalhydrazide derivatives were calculated using ab initio and two density functional methods to obtain information about their reaction conditions. The results showed that p K a1 was influenced by structural modification as it varied between 0.47 and 6.99, and that p K a2 was relatively less variable from 16.66 to 21.53. The high values of p K a2 revealed that a strong alkaline solution was necessary for all chemiluminescent reactions of discussed phthalhydrazide derivatives.
原始语种摘要: The p K a values of some phthalhydrazide derivatives were calculated using ab initio and two density functional methods to obtain information about their reaction conditions. The results showed that p K a1 was influenced by structural modification as it varied between 0.47 and 6.99, and that p K a2 was relatively less variable from 16.66 to 21.53. The high values of p K a2 revealed that a strong alkaline solution was necessary for all chemiluminescent reactions of discussed phthalhydrazide derivatives.
全文获取路径: Springer  (合作)
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来源刊物:
影响因子:0.209 (2012)

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关键词翻译
关键词翻译
  • values 价值观
  • aqueous 水的
  • solution 溶液
  • derivatives 派生物
  • conditions 条件式
  • necessary 必要的
  • their 他们的
  • calculation 计算
  • functional 功能的
  • information 报告