@article{9632478f4cd648cd8629a66efa329fb4,
title = "Infrared and Raman spectra of lignin substructures: Dibenzodioxocin",
abstract = "Vibrational spectroscopy is a very suitable tool for investigating the plant cell wall in situ with almost no sample preparation. The structural information of all different constituents is contained in a single spectrum. Interpretation therefore heavily relies on reference spectra and understanding of the vibrational behavior of the components under study. For the first time, we show infrared (IR) and Raman spectra of dibenzodioxocin (DBDO), an important lignin substructure. A detailed vibrational assignment of the molecule, based on quantum chemical computations, is given in the Supporting Information; the main results are found in the paper. Furthermore, we show IR and Raman spectra of synthetic guaiacyl lignin (dehydrogenation polymer—G-DHP). Raman spectra of DBDO and G-DHP both differ with respect to the excitation wavelength and therefore reveal different features of the substructure/polymer. This study confirms the idea previously put forward that Raman at 532 nm selectively probes end groups of lignin, whereas Raman at 785 nm and IR seem to represent the majority of lignin substructures.",
keywords = "dehydrogenation, dibenzodioxocin, FT-IR, lignin, polymer, Raman spectroscopy",
author = "Peter Bock and Paula Nousiainen and Thomas Elder and Markus Blaukopf and Hassan Amer and Ronald Zirbs and Antje Potthast and Notburga Gierlinger",
note = "Funding Information: Grigory Zinovyev is thanked for the kind provision of the G‐DHP sample. Adya Singh read through the manuscript with keen eyes—we really appreciate his dedicated work! This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI‐1548562. Specifically, it used the Stampede 2 at the Texas Advanced Computing Center (TACC), both via MCB‐090159, Gregg T. Beckham, PI. Funding Information: Grigory Zinovyev is thanked for the kind provision of the G-DHP sample. Adya Singh read through the manuscript with keen eyes?we really appreciate his dedicated work! This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562. Specifically, it used the Stampede 2 at the Texas Advanced Computing Center (TACC), both via MCB-090159, Gregg T. Beckham, PI. Funding Information: Horizon 2020 Framework Programm, ERC Consolidator grant Grant number: 681885 START grant of the Austrian Science Fund (FWF) Grant number: Y‐728‐B16 Publisher Copyright: {\textcopyright} 2020 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd",
year = "2020",
month = mar,
day = "1",
doi = "10.1002/jrs.5808",
language = "English",
volume = "51",
pages = "422--431",
journal = "Journal of Raman Spectroscopy",
issn = "0377-0486",
publisher = "John Wiley & Sons",
number = "3",
}