{"title":"Calculated and structural analysis of self-assembly formed by [7]thiaheterohelicene-2,13-carboxaldehyde molecules on Au(111)","authors":"Nadia Elhasnaoui, Xavier Bouju, Youness Benjalal","doi":"10.1039/d4cp03235g","DOIUrl":null,"url":null,"abstract":"Recently, electronic and structural properties of large self-assembled domains of [7]thiaheterohelicene-2,13-carboxaldehyde helicene ([7]TH-dial) molecules on Au(111), Cu(001), and NiAl(110) metal surfaces have been characterized by scanning tunneling microscopy (STM). Several distinct areas of the self-assembled structures can be observed. To describe and explore the morphology and the interactions in these distinct self-assembled nanostructures, we combine results obtained through calculations in a semi-empirical framework and calculated STM images. We revealed that these supramolecular nano-structures, on the metallic substrate, originate from the two orientations P and M of the [7]TH-dial molecules linked them by different processes (head-to-tail, sideways, head-on, and tail-on) through van der Waals interactions. The results presented here provide valuable insights for understanding the intermolecular and substrate-molecule interactions within the self-assembled nano-structures of [7]TH-dial molecules on metallic surfaces.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":null,"pages":null},"PeriodicalIF":2.9000,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4cp03235g","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Recently, electronic and structural properties of large self-assembled domains of [7]thiaheterohelicene-2,13-carboxaldehyde helicene ([7]TH-dial) molecules on Au(111), Cu(001), and NiAl(110) metal surfaces have been characterized by scanning tunneling microscopy (STM). Several distinct areas of the self-assembled structures can be observed. To describe and explore the morphology and the interactions in these distinct self-assembled nanostructures, we combine results obtained through calculations in a semi-empirical framework and calculated STM images. We revealed that these supramolecular nano-structures, on the metallic substrate, originate from the two orientations P and M of the [7]TH-dial molecules linked them by different processes (head-to-tail, sideways, head-on, and tail-on) through van der Waals interactions. The results presented here provide valuable insights for understanding the intermolecular and substrate-molecule interactions within the self-assembled nano-structures of [7]TH-dial molecules on metallic surfaces.
期刊介绍:
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.