The DFT and MP2 based computational scrutiny on blue-shifted H–F stretching vibrational frequencies in hydrogen-fluoride complexes with nitriles: Insights into the decisive role of intermolecular hydrogen bonding (IMHB) in ground and electronic excited states
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,General Chemistry
Reference74 articles.
1. Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes;Abraham;Chem. Soc. Rev.,1993
2. Electronic structure calculations on workstation computers: the program system turbomole;Ahlrichs;Chem. Phys. Lett.,1989
3. The electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization;Alabugin;J. Am. Chem. Soc.,2003
4. Molecular polarization potential maps of the nucleic acid bases;Alkorta;Int. J. Quantum Chem.,1996
5. Radicals as hydrogen bond acceptors;Alkorta;Ber. Bunsen. Ges. Phys. Chem.,1998
Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Exploration of intramolecular charge transfer in para-substituted nitrobenzofurazan: Experimental and theoretical analyses;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2023-11
2. Intra- and Inter-molecular Interactions between 1-Alkanol and Benzonitrile: Computational and Thermodynamic Study;Journal of Chemical & Engineering Data;2023-01-30
3. A DFT ‐based study of the hydrogen‐bonding interactions between epicatechin and methanol/water;Journal of the Chinese Chemical Society;2022-12-26
4. Difluorinated cyclopentadithiophene derivatives for green emitters in organic light-emitting diodes: A theoretical investigation;Journal of Physics and Chemistry of Solids;2021-09
5. Molecular interactions in liquid mixtures containing o-cresol and 1-alkanols: Thermodynamics, FT-IR and computational studies;Journal of Molecular Liquids;2020-05
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