Theoretical Study of the Association of Aryl Derivatives of Lactic Acid

D. Gerasimova, L. V. Frantsuzova, R. Fayzullin, O. Lodochnikova
{"title":"Theoretical Study of the Association of Aryl Derivatives of Lactic Acid","authors":"D. Gerasimova, L. V. Frantsuzova, R. Fayzullin, O. Lodochnikova","doi":"10.26907/2542-064x.2023.1.49-57","DOIUrl":null,"url":null,"abstract":"A theoretical study of the association of phenyl and ortho-substituted aryl derivatives of lactic acid was carried out. Two variants of hydrogen-bonded associates in the gas phase were calculated: non-classical, actually found in the crystals, and simulated classical dimers. The energy advantage of classical dimers and the non-equivalence of diastereotopic electron lone pairs at the carbonyl oxygen atom were shown.","PeriodicalId":23418,"journal":{"name":"Uchenye Zapiski Kazanskogo Universiteta. Seriya Estestvennye Nauki","volume":"32 1","pages":""},"PeriodicalIF":0.4000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Uchenye Zapiski Kazanskogo Universiteta. Seriya Estestvennye Nauki","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.26907/2542-064x.2023.1.49-57","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0

Abstract

A theoretical study of the association of phenyl and ortho-substituted aryl derivatives of lactic acid was carried out. Two variants of hydrogen-bonded associates in the gas phase were calculated: non-classical, actually found in the crystals, and simulated classical dimers. The energy advantage of classical dimers and the non-equivalence of diastereotopic electron lone pairs at the carbonyl oxygen atom were shown.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
乳酸芳基衍生物缔合的理论研究
对苯基与邻位取代芳基乳酸衍生物的缔合进行了理论研究。计算了气相氢键结合物的两种变体:非经典的,实际存在于晶体中的,和模拟的经典二聚体。证明了经典二聚体的能量优势和羰基氧原子上非对映异构电子孤对的不等效性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
CiteScore
0.70
自引率
0.00%
发文量
0
审稿时长
17 weeks
期刊最新文献
Insights into the Health Effects of Acrolein and Crotonaldehyde in Russian Smokers Switching from Regular Cigarettes to Heated Tobacco Products Evaluation of the Antioxidant Properties and GC-MSD Analysis of Commercial Essential Oils from Plants of the Lamiaceae Family Magnetic and Structural Properties of Iron Oxide Nanoparticles Produced by Thermal Decomposition of Precursors in Solution α-Carboxylate Phosphabetains in Alkylation and Complexation Reactions Surface Microtextures of Quartz Grains and Origin of the Paleogene Sands in the Ulyanovsk-Syzran Volga Region
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1