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  1. Article ; Online: C 3 N based heterobilayers: a potential platform to explore optoelectronic and thermoelectric properties.

    Mondal, Deep / Ghosal, Supriya / Jana, Susmita / Roy, Anirban / Asfakujjaman, Asfakujjaman / Basak, Krishnanshu / Ghosh, Mainak / Jana, Debnarayan

    Journal of physics. Condensed matter : an Institute of Physics journal

    2024  

    Abstract: ... xD;lished van der Waals (vdW) heterostructures based on the recently synthesized monolayer of C 3 N ... C 3 N/hBN tends to exhibit a small indirect gap semiconducting nature with an admixture of com- ... at specific concentrations. The other material, C 3 N/graphene however maintains a low Seebeck coefficient ...

    Abstract We theoretically investigate the full thermal transport and optoelectronic features of two estab- lished van der Waals (vdW) heterostructures based on the recently synthesized monolayer of C 3 N using the machinery of the Boltzmann transport and GW+BSE calculations. Among the structures, C 3 N/hBN tends to exhibit a small indirect gap semiconducting nature with an admixture of com- paratively higher 'flat-and-dispersiveness' and band degeneracy in the conduction band minima. A nearly comparable high thermoelectric power factor is observed for both the charge carriers at 300 K and 900 K at specific concentrations. The other material, C 3 N/graphene however maintains a low Seebeck coefficient with large electrical conductivity which correctly manifests its metallic character. A combination of low atomic mass, higher anharmonicity and longer lifetime of acous- tic phonons in C 3 N/hBN results in an intermediate lattice thermal conductivity (196 Wm -1 K -1 ) at room temperature as compared to its constituent monolayers. Under heavy n-type doping, C 3 N/hBN hetero-bilayer displays a figure of merit value of 0.13 (and 0.36) at room temperature (and at 900 K). As per the optical signatures are concerned, C 3 N/hBN reveals two distinct absorp- tion peaks with a high electron-hole quasiparticle interaction energy correction. Besides both the structures display a much better absorption throughout the spectrum compared to graphene. We expect these findings will motivate future research in designing thermoelectric and optoelectronic materials made of light mass, earth-abundant and non-toxic elements.
    Language English
    Publishing date 2024-03-21
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472968-4
    ISSN 1361-648X ; 0953-8984
    ISSN (online) 1361-648X
    ISSN 0953-8984
    DOI 10.1088/1361-648X/ad36a2
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  2. Article ; Online: Making and Breaking of C-N Bonds: Applications in the Synthesis of Unsymmetric Tertiary Amines and α-Amino Carbonyl Derivatives.

    Jyoti Roy, Vishal / Pathania, Vishali / Raha Roy, Sudipta

    Chemistry, an Asian journal

    2022  , Page(s) e202200998

    Abstract: ... This process effectively results in consecutive cleavage and formation of C-N bonds. DFT studies and Hammett ...

    Abstract An operationally simple process has been developed for the synthesis of unsymmetrical amines and α-amino carbonyl derivatives in the absence of a catalyst, ligand, oxidant, or any additives. Contrary to known reductive amination methods, this protocol is amenable to substrates containing other reducible groups. This process effectively results in consecutive cleavage and formation of C-N bonds. DFT studies and Hammett analysis provide useful insight into the mechanism. The role of noncovalent interactions as a stabilizing factor have been examined in the protocol. A wide range of alkyl-bromides have been coupled efficiently with a variety of dimethyl anilines to get unsymmetric tertiary amines with yields up to 90%. This methodology was further extended to the synthesis of α-amino carbonyl derivatives with yields up to 93%.
    Language English
    Publishing date 2022-11-14
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2233006-9
    ISSN 1861-471X ; 1861-4728
    ISSN (online) 1861-471X
    ISSN 1861-4728
    DOI 10.1002/asia.202200998
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  3. Article ; Online: Pd(II)-Catalyzed Oxidative Naphthylation of 2-Pyridone through N-H/C-H Activation Using Diarylacetylene as an Uncommon Arylating Agent.

    Bera, Satabdi / Biswas, Aniruddha / Pal, Juthi / Roy, Lisa / Mondal, Supriya / Samanta, Rajarshi

    Organic letters

    2023  Volume 25, Issue 11, Page(s) 1952–1957

    Abstract: ... described using a twofold internal alkyne as a coupling partner. The reaction proceeds through N-H/C-H ...

    Abstract A Pd(II)-catalyzed straightforward oxidative naphthylation of unmasked 2-pyridone derivatives is described using a twofold internal alkyne as a coupling partner. The reaction proceeds through N-H/C-H activation to provide polyarylated
    Language English
    Publishing date 2023-03-10
    Publishing country United States
    Document type Journal Article
    ISSN 1523-7052
    ISSN (online) 1523-7052
    DOI 10.1021/acs.orglett.3c00497
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  4. Article ; Online: Electricity Induced Rhodium-Catalyzed Oxidative C-H/N-H Annulation of Alkynes with Arylhydrophthalazinediones.

    Sen, Partha Pratim / Prakash, Rashmi / Roy, Sudipta Raha

    Organic letters

    2022  Volume 24, Issue 25, Page(s) 4530–4535

    Abstract: ... aspect in organic synthesis. Herein, we disclose electricity as a greener oxidant for the C-H/N-H ...

    Abstract The development of stoichiometric oxidant-free regioselective annulation protocol is a challenging aspect in organic synthesis. Herein, we disclose electricity as a greener oxidant for the C-H/N-H annulation to construct cinnolines using rhodium(III) catalyst under mild conditions. A detailed mechanistic investigation revealed the possibility of both Rh(III/I) and Rh(III/IV) catalytic cycles for the formation of annulated product. Exclusive regioselectivity, diverse substrate scope, and commercially available cheap graphite electrodes are key features of this protocol.
    Language English
    Publishing date 2022-06-21
    Publishing country United States
    Document type Journal Article
    ISSN 1523-7052
    ISSN (online) 1523-7052
    DOI 10.1021/acs.orglett.2c01542
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  5. Article ; Online: N/C Interactions Are Dispensable for Normal In Vivo Functioning of the Androgen Receptor in Male Mice.

    El Kharraz, Sarah / Dubois, Vanessa / Launonen, Kaisa-Mari / Helminen, Laura / Palvimo, Jorma J / Libert, Claude / Smeets, Elien / Moris, Lisa / Eerlings, Roy / Vanderschueren, Dirk / Helsen, Christine / Claessens, Frank

    Endocrinology

    2022  Volume 163, Issue 9

    Abstract: ... of these so-called N/C interactions in AR functioning is debated. In vitro assays show that mutating the AR ... relevance of the N/C interaction, we analyzed the consequences of the genomic introduction of the ARNoC ... We thus conclude that the N/C interactions in the AR are not essential for the development of a male phenotype ...

    Abstract The androgen receptor (AR) plays a central role in the development and maintenance of the male phenotype. The binding of androgens to the receptor induces interactions between the carboxyterminal ligand-binding domain and the highly conserved 23FQNLF27 motif in the aminoterminal domain. The role of these so-called N/C interactions in AR functioning is debated. In vitro assays show that mutating the AR in the 23FQNLF27 motif (called ARNoC) attenuates the AR transactivation of reporter genes, has no effect on ligand binding, but does affect protein-protein interactions with several AR coregulators. To test the in vivo relevance of the N/C interaction, we analyzed the consequences of the genomic introduction of the ARNoC mutation in mice. Surprisingly, the ARNoC/Y mice show a normal male development, with unaffected male anogenital distance and normal accessory sex glands, male circulating androgen levels, body composition, and fertility. The responsiveness of androgen target genes in kidney, prostate, and testes was also unaffected. We thus conclude that the N/C interactions in the AR are not essential for the development of a male phenotype under normal physiological conditions.
    MeSH term(s) Androgens/pharmacology ; Animals ; Ligands ; Male ; Mice ; Prostate/metabolism ; Prostatic Neoplasms/metabolism ; Receptors, Androgen/metabolism ; Transcriptional Activation
    Chemical Substances AR protein, mouse ; Androgens ; Ligands ; Receptors, Androgen
    Language English
    Publishing date 2022-08-03
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
    ZDB-ID 427856-2
    ISSN 1945-7170 ; 0013-7227
    ISSN (online) 1945-7170
    ISSN 0013-7227
    DOI 10.1210/endocr/bqac104
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  6. Article ; Online: Rh-Catalyzed tandem C-C/C-N bond formation of quinoxalines with alkynes leading to heterocyclic ammonium salts.

    Talukdar, Kangkan / Roy, Subhasish / Bag, Raghunath / Punniyamurthy, Tharmalingam

    Organic & biomolecular chemistry

    2019  Volume 17, Issue 8, Page(s) 2148–2152

    Abstract: An efficient Rh-catalyzed oxidative C-H activation/annulation of 2-arylquinoxalines with internal ...

    Abstract An efficient Rh-catalyzed oxidative C-H activation/annulation of 2-arylquinoxalines with internal alkynes is described using Cu(OAc)2·H2O and AgBF4 to afford a diverse variety of substituted quarternary ammonium salts at room temperature. The mechanism of the protocol is established on the basis of isolation of the 5-membered rhodacycle intermediate and kinetic isotope studies. The mild reaction conditions, substrate scope and functional group diversity are the salient practical features.
    Language English
    Publishing date 2019-01-31
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2097583-1
    ISSN 1477-0539 ; 1477-0520
    ISSN (online) 1477-0539
    ISSN 1477-0520
    DOI 10.1039/c8ob03103g
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  7. Article ; Online: Multi-C-C/C-N-Coupled Light-Emitting Aliphatic Terpolymers: N-H-Functionalized Fluorophore Monomers and High-Performance Applications.

    Mahapatra, Manas / Dutta, Arnab / Roy, Joy Sankar Deb / Das, Ujjal / Banerjee, Snehasis / Dey, Sanjit / Chattopadhyay, Pijush Kanti / Maiti, Dilip K / Singha, Nayan Ranjan

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2019  Volume 26, Issue 2, Page(s) 502–516

    Abstract: ... fluorescent aliphatic terpolymers (1-5) have been synthesized by C-C/C-N-coupled, solution polymerization ...

    Abstract To circumvent costly fluorescent labeling, five nonconventional, multifunctional, intrinsically fluorescent aliphatic terpolymers (1-5) have been synthesized by C-C/C-N-coupled, solution polymerization of two non-emissive monomers with protrusions of fluorophore monomers generated in situ. These scalable terpolymers were suitable for sensing and high-performance exclusion of Cu
    Language English
    Publishing date 2019-12-09
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.201903935
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  8. Article ; Online: Electrifying Sustainability on Transition Metal-Free Modes: An Eco-Friendly Approach for the Formation of C-N Bonds.

    Dagar, Neha / Sen, Partha Pratim / Roy, Sudipta Raha

    ChemSusChem

    2021  Volume 14, Issue 5, Page(s) 1229–1257

    Abstract: ... redox mediators in electrosynthesis for the construction of C-N bonds are outlined. Furthermore ... This comprehensive Review provides an overview of metal-free mediated electro-construction of C-N bonds, focusing ...

    Abstract Embracing sustainable green methodologies and techniques in chemical transformations has always been in the limelight to the synthetic community. Electrosynthesis has emerged as a powerful, sustainable synthetic tool for molecular synthesis exploiting inexpensive electricity in place of sacrificial chemical oxidizing/reducing reagents. Herein, recent advances in the incorporation of transition metal-free redox mediators in electrosynthesis for the construction of C-N bonds are outlined. Furthermore, conjugation of this strategy with flow catalysis allows easy scale up of the synthesis of molecular assembly. This comprehensive Review provides an overview of metal-free mediated electro-construction of C-N bonds, focusing on the reaction mechanisms involved and its synthetic applications.
    Language English
    Publishing date 2021-01-19
    Publishing country Germany
    Document type Journal Article ; Review
    ISSN 1864-564X
    ISSN (online) 1864-564X
    DOI 10.1002/cssc.202002567
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  9. Article ; Online: c-Si/n-ZnO-based flexible solar cells with silica nanoparticles as a light trapping metamaterial.

    Roy, Arijit Bardhan / Das, Sonali / Kundu, Avra / Banerjee, Chandan / Mukherjee, Nillohit

    Physical chemistry chemical physics : PCCP

    2017  Volume 19, Issue 20, Page(s) 12838–12844

    Abstract: Herein, we report the fabrication of flexible solar cells based on a crystalline p-Si/n-ZnO ...

    Abstract Herein, we report the fabrication of flexible solar cells based on a crystalline p-Si/n-ZnO heterostructure for the first time. An enhancement of ∼52% in the base efficiency was achieved by the application of spherical SiO
    Language English
    Publishing date 2017-05-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c7cp01128h
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  10. Article ; Online: Reaction of a bis(pentafulvene)titanium complex with an N-heterocyclic olefin: C-H-activation leads to resonance between a titanium vinyl and titanium alkylidene complex.

    Fischer, Malte / Roy, Matthew M D / Hüller, Sascha / Schmidtmann, Marc / Beckhaus, Rüdiger

    Dalton transactions (Cambridge, England : 2003)

    2022  Volume 51, Issue 28, Page(s) 10690–10696

    Abstract: The N-heterocyclic olefin (NHO) ImMe ...

    Abstract The N-heterocyclic olefin (NHO) ImMe
    Language English
    Publishing date 2022-07-19
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d2dt00014h
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