The Synthesis, Crystal Structure, DFT Calculations and Optical Properties of Orcinolic Derivatives as OH− Indicators

Author:

Wannalerse Boontana,Kwanmuang Paradee,Jansukra Piangkwan,Pinchaipat BussabaORCID,Duangthongyou TanwawanORCID,Hasin Panitat,Songsasen Apisit,Chainok Kittipong,Suramitr Songwut

Abstract

The structures of 2-(3-hydroxy-5-methylphenoxy)-N-(4-nitrophenyl)acetamide), B1, and 2-(3-hydroxy-5-methylphenoxy)-N-(4-(trifluoromethyl)phenyl)acetamide, B2, are crystallized in the crystal symmetry of the monoclinic structure and in the space group of P21/c. For the different structures of B1 and B2, B1 displays an absolute planarity conformation with torsion angles of 172.2–179.1. The two molecules of B1 are linked by a hydrogen bond of N–H…O–N–O, where a hydrogen atom of amide is bound to an oxygen atom of the nitro-substituted group. In the case of B2, the molecules are connected to each other through the hydrogen bonding interaction of C=O…H–O. DFT calculations reveal that the transition from HOMO to LUMO of B1 and B2 shows the absorption bands B1 and B2 at 314 and 240 nm, respectively. Upon the addition of an OH− ion, the absorption bands of B1 and B2 shift to a longer wavelength than the original bands of B1 and B2. According to the 1H-NMR results, the NH proton of B1 and B2 disappears due to the deprotonation process. The methylene group and aromatic region move to upfield shift when adding an OH− ion.

Funder

the Kasetsart University Research and Development Institute

Publisher

MDPI AG

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science,General Chemical Engineering

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3