Article
Chemistry, Organic
Dongpo Lu, Peng Lu, Zhan Lu
Summary: A cobalt-catalyzed asymmetric reduction of β,β-dialkyl α,β-unsaturated esters using PMHS as a reductive reagent was reported, delivering esters with a chiral trialkyl carbon center at the β-position with high yield and high enantioselectivity. The chiral tridentate ligand OIP showed excellent performance in the asymmetric reduction, replacing the need for chiral bidentate ligands. This simple protocol utilizes readily available PMHS as a cost-effective and easy-to-handle reductive reagent for a wide range of substrates.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Xinyu Chen, Yi-Guo Huang, Wei-Qiang Zhong, Jing-Mei Huang
Summary: An electrochemical method for the decarboxylative silylation of alpha,beta-unsaturated carboxylic acids has been developed with satisfactory yields and excellent selectivities. Mechanistic studies reveal that NHPI mediates the formation of silyl radicals by generating the HAT reagent PINO via MS-CPET.
Article
Chemistry, Organic
Nan Ji, Qinqin Tian, Qingqing Yang, Minghua Li, Wei He
Summary: This study describes a highly enantioselective epoxidation of trans-alpha-cyano-alpha, beta-unsaturated esters using cinchona alkaloid-derived urea and H2O2 as organocatalysts and oxidant, resulting in chiral glycidic ester derivatives with cyano groups in good yields (up to 95%) and excellent enantioselectivities (up to 97% ee). A plausible transition state was proposed for the reaction mechanism.
TETRAHEDRON LETTERS
(2021)
Article
Chemistry, Applied
Mahadev L. Shegavi, Suresh Saini, Ramesh Bhawar, Meghana Desai Vishwantha, Shubhankar Kumar Bose
Summary: This study reports the anti-Markovnikov-selective hydroboration of alkenes catalyzed by Fe-dopamine-Cu NPs, as well as their application in the beta-borylation of alpha,beta-unsaturated ketones and esters, achieving high yields of alkylboronate esters. Furthermore, the magnetically recyclable catalyst maintained high activity over multiple reaction runs.
ADVANCED SYNTHESIS & CATALYSIS
(2021)
Article
Chemistry, Organic
Yong-Wang Huo, Xinxin Qi, Xiao-Feng Wu
Summary: This study developed a new method for synthesizing alpha,beta-unsaturated thioesters via nickel-catalyzed thiocarbonylation reaction of vinyl triflates with arylsulfonyl chlorides. By using Mo(CO)(6) as both CO source and reductant, alpha,beta-unsaturated thioesters were obtained in moderate to good yields with excellent functional group compatibility. It is notable that this is the first example of nickel-catalyzed carbonylative synthesis of alpha,beta-unsaturated thioesters using arylsulfonyl chlorides as the coupling partner.
Article
Chemistry, Multidisciplinary
Yulong Zhang, Huichuang Guo, Qian Wu, Xiaojing Bi, Enxue Shi, Junhua Xiao
Summary: In this study, a new synthetic method was proposed to achieve >99%(E)-selective synthesis of beta-phosphoroxylated alpha,beta-unsaturated esters using mild trimethylamine-catalyzed 1,3-hydrogen migration of unconjugated intermediates derived from solvent-free Perkow reaction. Versatile beta,beta-disubstituted (E)-alpha,beta-unsaturated esters were obtained with full (E)-stereoretentivity by cleavage of the phosphoenol linkage via Negishi cross-coupling. Moreover, a stereoretentive (E)-rich mixture of alpha,beta-unsaturated ester derived from 2-chloroacetoacetate was easily obtained in one operation.
Article
Chemistry, Organic
Zekai Shen, Yong-Wang Huo, Xinxin Qi, Xiao-Feng Wu
Summary: A palladium-catalyzed thiocarbonylation reaction using S-aryl thioformates as the thioester sources was developed for the synthesis of alpha,beta-unsaturated thioesters from vinyltriflates. The reaction proceeded smoothly at low temperature, providing a variety of alpha,beta-unsaturated thioesters in good yields with excellent functional group tolerance. This protocol offers mild reaction conditions, broad substrate scope, and avoids the use of toxic CO gas or odorousthiols, making it a valuable method for the synthesis of alpha,beta-unsaturated thioesters via thioester transfer process.
Article
Chemistry, Multidisciplinary
Huan Yan, Gaochen Xu, Meng Gu, Sai Zhang, Qinghuan Wu, Jingjing Meng, Ning Zhu, Zheng Fang, Jindian Duan, Kai Guo
Summary: A novel synthesis method for trifluoromethyl-containing 2H-1,3-oxazines was developed by catalytically oxidizing alpha,beta-unsaturated ketoxime acetates with ethyl trifluoropyruvate. This procedure provides an alternative route towards functionalized 2H-1,3-oxazines.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Organic
Connor Szwetkowski, Carla Slebodnick, Webster L. Santos
Summary: A highly efficient and selective method has been developed for allenoate borylation, resulting in the synthesis of Z-beta,gamma-unsaturated beta-boryl esters. The method is performed under mild conditions and achieves high yields.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Organic
Sheng Zhang, Wenchao Gao, Jianxue Shi, Jingjing Li, Fengyi Li, Yating Liang, Xuan Zhan, Man-Bo Li
Summary: An umpolung addition of dicyanobenzene to alpha,beta-unsaturated alkenes has been developed using an electroreductive strategy. The electrochemical protocol is compatible with challenging substrates, and good regioselectivities are observed in the reaction. The synthetic utility of this electrochemical approach is demonstrated by direct functionalization of two compounds.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Ye Wang, Zi-Qing Wang, Liang Yin
Summary: A copper-catalyzed enantioselective 1,4-conjugate hydrophosphination was achieved using alpha,beta-unsaturated esters as electrophiles and diarylphosphines as pronucleophiles. Chiral phosphines were prepared with high to excellent enantioselectivity. Furthermore, a triple catalytic symmetric conjugate hydrophosphination occurred smoothly to afford the product.
SYNTHESIS-STUTTGART
(2023)
Article
Chemistry, Organic
Shyamal Kanti Bera, Rajat Rajiv Maharana, Kousik Samanta, Prasenjit Mal
Summary: We have demonstrated the activation of the carbonyl group of alpha,beta-unsaturated ketones by weak interactions such as halogen bonding (XB). Carbon tetrabromide (CBr4) has been successfully used as the sole reagent for the selective synthesis of flavanones and aza-flavanones from 2'-hydroxy- and 2'-aminochalcones, without the use of any metals or additives. DFT calculations provide support for the catalytic role of XB between the oxygen of chalcones and CBr4 in these reactions.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Organic
Tanmayee Nanda, Pragati Biswal, Bedadyuti Vedvyas Pati, Shyam Kumar Banjare, Ponneri Chandrababu Ravikumar
Summary: The strain-driven palladium/N-heterocyclic carbene-catalyzed C-C bond activation of diphenylcyclopropenone has been explored for one-step access to trisubstituted alpha,beta-unsaturated esters and amides. The designed transformation demonstrates high stereoselectivity under mild conditions and tolerates late-stage functionalization of bioactive molecules effectively. Mechanistic studies revealed the oxidative addition of the C-C bond of cyclopropenone to in-situ-generated Pd(0) intermediate, with vinylic hydrogen in the product originating from phenol/aniline according to deuterium-labeling studies.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Roxana Postolache, Juana M. Perez, Marta Castineira Reis, Luo Ge, Esther G. Sinnema, Syuzanna R. Harutyunyan
Summary: In this study, catalytic asymmetric hydrophosphination of α,β-unsaturated carbonyl derivatives using a chiral Mn(I) complex as a catalyst is reported. Various phosphine-containing chiral products can be obtained through H-P bond activation via hydrophosphination of different ketone, ester, and carboxamide-based Michael acceptors.
Article
Chemistry, Organic
Shao-Jie Cheng, Gang Wang, Kui Liu, Zhi-Shi Ye
Summary: A palladium-catalyzed regioselective alpha-amino C-H functionalization has been established via the isomerization of alpha,beta-unsaturated carbonyls including esters, ketones, and amides, providing a straightforward access to a wide range of multicyclic compounds with good yields. This transformation exhibits high regioselectivity, excellent functional group tolerance, and scalability.
Article
Chemistry, Multidisciplinary
Naresh Eedugurala, Zhuoran Wang, Uddhav Kanbur, Arkady Ellern, Marek Pruski, Aaron D. Sadow
Summary: This study presented the synthesis and characterization of To(M) copper complexes, as well as the attempt to synthesize monomeric copper(II) hydride. Through experiments and analyses, the structures and properties of these copper(II) compounds were determined, providing a reference for further research in the field of organometallic chemistry.
HELVETICA CHIMICA ACTA
(2021)
Article
Chemistry, Multidisciplinary
Smita Patnaik, Uddhav Kanbur, Arkady Ellern, Aaron D. Sadow
Summary: The study revealed that the (BOXZnR)-B-Ph-Zn-Me2 catalyst can efficiently catalyze the synthesis of silyl ethers and hydrogen under solvent-free conditions. The catalyst adapts its mechanism to achieve the most efficient conversion by adjusting the rate law and experimental rate constants based on reactant concentrations.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Uddhav Kanbur, Guiyan Zang, Alexander L. Paterson, Puranjan Chatterjee, Ryan A. Hackler, Massimiliano Delferro, Igor I. Slowing, Frederic A. Perras, Pingping Sun, Aaron D. Sadow
Summary: This study introduces a new catalytic method that converts polyolefins in discarded plastics into high-value compounds, overcoming the limitations of traditional carbon-carbon bond cleavage methods. Economic analysis shows that this method is cost-effective and has the potential to address the plastic-waste crisis.
Article
Chemistry, Multidisciplinary
Yuting Li, Uddhav Kanbur, Jinlei Cui, Guocang Wang, Takeshi Kobayashi, Aaron D. Sadow, Long Qi
Summary: The zeolite-supported lanthanide La(BH4)(x)-HY30 is capable of catalyzing the C-H borylation of benzene with pinacolborane, providing a complementary approach to precious, late transition metal-catalyzed borylations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Frederic A. Perras, Uddhav Kanbur, Alexander L. Paterson, Puranjan Chatterjee, Igor I. Slowing, Aaron D. Sadow
Summary: The immobilization of molecularly precise metal complexes on substrates, such as silica, provides a platform for designing active sites in heterogeneous catalysts. NMR-based surface-to-complex interatomic distances can be used to solve the three-dimensional structures of metal complexes on silica, revealing unexpected features. This approach is robust and easily applicable to most single-site catalysts with little extra effort.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Xun Wu, Akalanka Tennakoon, Ryan Yappert, Michaela Esveld, Magali S. Ferrandon, Ryan A. Hackler, Anne M. LaPointe, Andreas Heyden, Massimiliano Delferro, Baron Peters, Aaron D. Sadow, Wenyu Huang
Summary: This study investigates the effects of Pt nanoparticle size on the activity and selectivity of polyethylene hydrogenolysis. The results show that the smallest Pt nanoparticles exhibit the highest activity, while the three different-sized Pt nanoparticles have equivalent selectivity. Furthermore, the study also reveals that the mesoporous pores template the formation of a C 23 -centered distribution of hydrocarbons. These findings provide a framework for catalyst design by separating the carbon-carbon bond cleavage activity from the selectivity for chain lengths of the products.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Inorganic & Nuclear
Yang-Yun Chu, Annabelle Lolinco, Naresh Eedugurala, Arkady Ellern, Theresa L. Windus, Aaron D. Sadow
Summary: The study investigates the reactions of proligands C(5)H(5)CMe(2)CHPhOx(R) (R = Me-2, CHMe2, and CMe3) with M(NMe2)(4) (M = Ti, Zr, and Hf), and identifies different reaction products under different conditions and with different ligands and metal centers. The results highlight the importance of the oxazoline ligand in the reaction and its effects on the proton transfer.
Article
Chemistry, Physical
Kevin Basemann, Bradley M. Schmidt, Aaron D. Sadow
Summary: The study of reaction conditions for ruthenium-catalyzed ene-yne metathesis has shown that substituents and functional groups on the terminal alkyne reactant play a significant role in affecting the outcomes. Utilizing different methods and optimized conditions can lead to high turnovers and yields. Various research approaches and reaction conditions can improve the efficiency and conversion rates of the reactions.
Article
Chemistry, Physical
Puranjan Chatterjee, Hsin Wang, J. Sebastian Manzano, Uddhav Kanbur, Aaron D. Sadow, Igor I. Slowing
Summary: The study reports an improved catalytic activity for the aerobic alpha-oxidation of amines using silica-supported Au nanoparticles by tethering pyridyl ligands to the support. The research indicates that ligands affect the electronic properties of the Au nanoparticles, which in turn determine their ability to activate O-2 and mediate C-H cleavage in the substrate.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Rick W. Dorn, Alexander L. Paterson, Ivan Hung, Peter L. Gor'kov, Austin J. Thompson, Aaron D. Sadow, Zhehong Gan, Aaron J. Rossini
Summary: This study investigated pulse sequences for magic-angle spinning solid-state NMR experiments to probe the vicinity of quadrupolar spins. The experiments and numerical simulations allowed estimation of isotopic enrichment. Moreover, the practical application of these heteronuclear correlation experiments in probing structural connectivity between two quadrupolar spins was demonstrated.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Uddhav Kanbur, Alexander L. Paterson, Jessica Rodriguez, Andrew L. Kocen, Ryan Yappert, Ryan A. Hackler, Yi-Yu Wang, Baron Peters, Massimiliano Delferro, Anne M. LaPointe, Geoffrey W. Coates, Frederic A. Perras, Aaron D. Sadow
Summary: The C-H/Et-Al exchange reaction of saturated hydrocarbons and AlEt3 using zirconium catalysts produces versatile organoaluminum compounds and ethane. The grafting of commercially available Zr(OtBu)(4) on silica/alumina provides monopodal SiO-Zr(OtBu)(3) surface pre-catalyst sites that can be activated by ligand exchange with AlEt3. This selective methyl group alumination enables the C-H alumination of various hydrocarbon substrates without significant chain deconstruction. Additionally, methane can undergo selective mono-alumination under solvent-free catalytic conditions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Katherine E. McCullough, Ian L. Peczak, Robert M. Kennedy, Yi-Yu Wang, James Lin, Xun Wu, Alexander L. Paterson, Frederic A. Perras, Jacklyn Hall, A. Jeremy Kropf, Ryan A. Hackler, Youngho Shin, Jens Niklas, Oleg G. Poluektov, Jianguo Wen, Wenyu Huang, Aaron D. Sadow, Kenneth R. Poeppelmeier, Massimiliano Delferro, Magali S. Ferrandon
Summary: This study presents a scalable synthesis method for Pt/STO by surface organometallic chemistry (SOMC) techniques using Pt(ii) acetylacetonate or trimethyl(methylcyclopentadienyl)platinum. The Pt/STO catalysts effectively hydrogenolyzed polyolefins into hydrocarbon oils, offering a promising approach for upcycling plastic waste. This new synthesis method overcomes the cost and resource-intensive issues associated with the previous atomic layer deposition (ALD) technique.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Shaojiang Chen, Akalanka Tennakoon, Kyung-Eun You, Alexander L. L. Paterson, Ryan Yappert, Selim Alayoglu, Lingzhe Fang, Xun Wu, Tommy Yunpu Zhao, Michelle P. P. Lapak, Mukunth Saravanan, Ryan A. A. Hackler, Yi-Yu Wang, Long Qi, Massimiliano Delferro, Tao Li, Byeongdu Lee, Baron Peters, Kenneth R. R. Poeppelmeier, Salai C. C. Ammal, Clifford R. R. Bowers, Frederic A. Perras, Andreas Heyden, Aaron D. D. Sadow, Wenyu Huang
Summary: Non-reducible zirconia catalysts can efficiently hydrogenolytically cleave polyolefins, achieving similar activity as precious metal nanoparticles.
Article
Chemistry, Inorganic & Nuclear
Yang-Yun Chu, Andres Garcia Alejo, Sergey L. Bud'ko, Kasuni Boteju, Smita Patnaik, Arkady Ellern, Marilu Perez Garcia, Aaron D. Sadow
Summary: The magnetic properties of 4f organometallic compounds stabilized by secondary Ln-H-Si and benzylic interactions were investigated. The compounds without a benzyl group have a larger ligand field splitting energy manifold. Doping DyR3 into LaR3 results in the crystal structure of the latter compound, and the resulting material shows hysteresis in magnetic measurements.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Max Meirow, Akalanka Tennakoon, Xun Wu, Jarod Willmon, Daniel Howell, Wenyu Huang, Aaron D. Sadow, Erik Luijten
Summary: Due to the plastic waste crisis, selective chemical upcycling of polyolefins into value-added products has attracted great interest. A recent study has synthesized a catalytic architecture that can control the product chain lengths by manipulating the pore length, and uncovered the dynamic phenomenon responsible for the pore-length dependence of the cleavage products.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Alexander M. Prophet, Kritanjan Polley, Gary J. Van Berkel, David T. Limmer, Kevin R. Wilson
Summary: The oxidation kinetics of iodide by ozone at the air-water interface is studied in single microdroplets. Molecular simulations and kinetic modeling are used to understand the underlying multiphase mechanism.
Article
Chemistry, Multidisciplinary
Rong Zhang, Jiajing Lan, Fei Wang, Shumei Chen, Jian Zhang
Summary: By utilizing 1,1'-ferrocene dicarboxylic acid as a chelating and surface protection ligand, we have synthesized multi-nuclear indium oxide clusters with varying nuclear sizes, including heptanuclear and thirteen-nuclear clusters. These clusters possess labile coordination sites, allowing for structural modification and self-assembly, resulting in the formation of various cluster structures.
Article
Chemistry, Multidisciplinary
Hui Wang, Hui Liu, Mingsen Wang, Jiaheng Hou, Yongjun Li, Yuancheng Wang, Yingjie Zhao
Summary: Two supramolecular complexes were prepared using CBs and M1, and their single-crystal structures were analyzed by SCXRD. The unexpected 1:2 self-assembly structure between M1 and CB[8] was discovered for the first time. These complexes exhibit unique photophysical properties and provide valuable information about the structure and photophysical properties of supramolecular complexes.
Article
Chemistry, Multidisciplinary
Chang-Hee Lee, Sookil Park, Sanggil Kim, Ji Young Hyun, Hyun Soo Lee, Injae Shin
Summary: The epidermal growth factor receptor (EGFR) is a cell-surface glycoprotein involved in cell proliferation and tumor development. This study used a fluorescently labeled EGFR to investigate its time-dependent endocytosis in live cells and found that appended glycans affect EGFR internalization. Additionally, the study detected sialic acid residues attached to EGFR on the live cell surface using FRET-based imaging. This research provides valuable insights into the cellular functions of EGFR.
Article
Chemistry, Multidisciplinary
Subhankar Sahu, Lokesh Kumar, Sumita Das, Dipti Gupta, Ruchi Anand
Summary: This study proposes a strategy that combines organic electronics with biosensor scaffolds to create a compact device for monitoring environmental aromatic pollution. By coupling biosensing protein MopR with an organic electrochemical transistor (OECT), a sensor module capable of efficient detection of phenol was designed. Exclusive phenol detection with minimal loss of sensitivity could be achieved in complex pollutant mixtures and real environmental samples.
Review
Chemistry, Multidisciplinary
Changseok Lee, Hyung-Joon Kang, Sungwoo Hong
Summary: The formation of C-N bonds through hydroamination reactions catalyzed by nickel hydrides has been a topic of recent interest. This approach offers a way to efficiently transform a variety of alkene and alkyne substrates into compounds enriched with C-N bonds. The review provides a concise overview of the underlying reaction mechanisms and aims to stimulate further progress in NiH-catalytic techniques and catalyst design.
Article
Chemistry, Multidisciplinary
Yueci Wu, Lu-Lu Sun, Hai-Hao Han, Xiao-Peng He, Weiguo Cao, Tony D. James
Summary: Drug-induced liver injury (DILI) is a common cause of acute liver failure in the USA and Europe, but most cases can be recovered or prevented by discontinuing the offending drug. Recent research has found that peroxynitrite (ONOO-) can be used as a potential indicator for early diagnosis of DILI, and there is an urgent need to establish a method to detect and track peroxynitrite in DILI cases. In this study, a FRET-based nano fluorescent probe CD-N-I was developed, which showed high selectivity and sensitivity in detecting peroxynitrite. The probe successfully detected exogenous peroxynitrite in live cells and endogenous peroxynitrite in APAP-induced liver injury of HepG2 cells.
Article
Chemistry, Multidisciplinary
Dmitry L. Lipilin, Mikhail O. Zubkov, Mikhail D. Kosobokov, Alexander D. Dilman
Summary: This article describes a direct photocatalytic method for the thiolation of unprotected acids, which was previously challenging. By using a thionocarbonate reagent with an N-O bond, the efficient conversion of carboxylic acids to thiols is achieved.
Article
Chemistry, Multidisciplinary
Jason Malenfant, Lucille Kuster, Yohann Gagne, Kouassi Signo, Maxime Denis, Sylvain Canesi, Mathieu Frenette
Summary: Raman microscopy can reveal compound-specific vibrational fingerprints without sample preparation. The combination of efficient theoretical calculations and a user-friendly software can accurately predict peak positions and provide match scores to assist with structure determination.
Article
Chemistry, Multidisciplinary
Jayoh A. Hernandez, Paul S. Micus, Sean Alec Lois Sunga, Luca Mazzei, Stefano Ciurli, Gabriele Meloni
Summary: Essential trace metals play crucial roles in the survival and virulence of bacterial pathogens. Helicobacter pylori requires nickel for colonization and persistence in the stomach, and NixA is an essential nickel transporter in this process. This study characterizes the selectivity and electrogenic nature of NixA-mediated nickel transport.
Article
Chemistry, Multidisciplinary
Tarali Devi, Kuheli Dutta, Jennifer Deutscher, Stefan Mebs, Uwe Kuhlmann, Michael Haumann, Beatrice Cula, Holger Dau, Peter Hildebrandt, Kallol Ray
Summary: This study emphasizes the importance of subtle electronic changes and secondary interactions in the stability of biologically relevant metal-dioxygen intermediates. It also shows that the role of the chloride ligand in stabilizing the Fe-III-(OOBu)-Bu-t moiety can extend to other anions, including the thiolate ligand.
Article
Chemistry, Multidisciplinary
Jacqueline R. Santhouse, Jeremy M. G. Leung, Lillian T. Chong, W. Seth Horne
Summary: By studying the folding kinetics and mechanism of the BdpA sequence, researchers found that altering the backbone connectivity can affect protein folding. This suggests that protein mimetic chains have a significant degree of plasticity in transitioning between unfolded and folded states.
Article
Chemistry, Multidisciplinary
Divanshu Gupta, Ralf Einholz, Holger F. Bettinger
Summary: This study presents the first direct spectroscopic evidence of a cyclic seven-membered iminoborane. Compared to linear amino-iminoboranes, this cyclic iminoborane exhibits weakened bond strength and lower Lewis acidity value. The study suggests that the reduced ring strain of cyclic iminoborane prevents nitrogen fixation but allows facile (2 + 2) cycloaddition reaction with C2H4.
Article
Chemistry, Multidisciplinary
Renny Mathew, Aniruddha Mazumder, Praveen Kumar, Julie Matula, Sharmarke Mohamed, Petr Brazda, Mahesh Hariharan, Brijith Thomas
Summary: This study reveals the packing arrangement of partially disordered nitro-perylenediimide (NO2-PDI) using a synergistic approach that combines 3D ED, ssNMR, and DFT techniques. By overcoming these challenges, this methodology opens up new avenues for material characterization, driving exciting advancements in the field.
