氨基（氨）基（三烷基）铵结构对π给电子能力和热稳定性的影响：实验与计算研究。

IF 1.3 4区医学 Q4 CHEMISTRY, MEDICINAL

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI:10.1248/cpb.c25-00260

Hikaru Fujita, Takanari Arai, Hiroki Muraya, Yoshika Matsuyama, Munetaka Kunishima

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引用次数: 0

摘要

氨酰胺基（AA）是一类新的π共轭分子给电子基团，一般结构为R3N+N——。以AA取代的对硝基苯为研究对象，考察了AA基上的无环、单环和双环铵盐结构对结构的给电子能力和热稳定性的影响。量子化学计算支持实验观察到的（喹喹啉）氨基（QA）基团的有利性质。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Effects of the (Trialkyl)ammonium Structures in (Ammonio)amidyl Groups on π-Electron Donating Ability and Thermal Stability: Experimental and Computational Study.

The (ammonio)amidyl (AA) groups, with the general structure of R₃N⁺N^--, represent a new class of π-electron-donating groups for the benzene-based π-conjugated molecules. This study investigated AA-substituted p-nitrobenzenes to assess the effects of acyclic, monocyclic, and bicyclic ammonium structures in the AA groups on the π-electron-donating ability and thermal stability of the structure. Quantum chemical calculations were performed that supported the experimentally observed favorable properties of the (quinuclidinio)amidyl (QA) group.

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来源期刊

Chemical & pharmaceutical bulletin 医学-化学综合

CiteScore

3.20

自引率

5.90%

发文量

132

审稿时长

1.7 months

期刊介绍： The CPB covers various chemical topics in the pharmaceutical and health sciences fields dealing with biologically active compounds, natural products, and medicines, while BPB deals with a wide range of biological topics in the pharmaceutical and health sciences fields including scientific research from basic to clinical studies. For details of their respective scopes, please refer to the submission topic categories below. Topics: Organic chemistry In silico science Inorganic chemistry Pharmacognosy Health statistics Forensic science Biochemistry Pharmacology Pharmaceutical care and science Medicinal chemistry Analytical chemistry Physical pharmacy Natural product chemistry Toxicology Environmental science Molecular and cellular biology Biopharmacy and pharmacokinetics Pharmaceutical education Chemical biology Physical chemistry Pharmaceutical engineering Epidemiology Hygiene Regulatory science Immunology and microbiology Clinical pharmacy Miscellaneous.