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  1. Article ; Online: Altering Charges on Heterobimetallic Transition-Metal Carbonyl Clusters.

    Unkrig, Wiebke / Kloiber, Konstantin / Butschke, Burkhard / Kratzert, Daniel / Krossing, Ingo

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2020  Volume 26, Issue 54, Page(s) 12373–12381

    Abstract: The homoleptic group 5 carbonylates [M(CO) ...

    Abstract The homoleptic group 5 carbonylates [M(CO)
    Language English
    Publishing date 2020-09-11
    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.202002339
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Dibenzo[a,e]pentalenophanes: Bending a Non-Alternant Hydrocarbon.

    Hermann, Mathias / Wassy, Daniel / Kratzert, Daniel / Esser, Birgit

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2018  Volume 24, Issue 29, Page(s) 7374–7387

    Abstract: In cyclophanes, an aromatic moiety is incorporated into a (strained) cyclic structure. Of particular interest as model systems for bent carbon nanostructures are those containing polycyclic aromatic hydrocarbons. Dibenzo[a,e]pentalene (DBP) is a non- ... ...

    Abstract In cyclophanes, an aromatic moiety is incorporated into a (strained) cyclic structure. Of particular interest as model systems for bent carbon nanostructures are those containing polycyclic aromatic hydrocarbons. Dibenzo[a,e]pentalene (DBP) is a non-alternant polycyclic hydrocarbon with small band gap and tunable optoelectronic properties. However, changing these properties by bending of the DBP structure has yet to be investigated. Herein, we report the synthesis, optoelectronic, and structural properties of (2,7)dibenzo[a,e]pentalenophanes with four different bridge sizes and bending angles of the DBP unit, accompanied by (TD)DFT calculations. The last, strain-inducing dehydration reaction was accomplished by using Burgess' reagent. The HOMO and LUMO levels and the magnetic shielding of protons pointing inside the cyclophane cavity grew stepwise with increasing ring strain. Single-crystal X-ray structures of the smallest three derivatives revealed a near semi-circle and a bend angle of the DBP unit of almost 88° for the smallest derivative. We demonstrated the synthetic versatility of our approach by varying the substituents at the DBP unit, allowing for further tuning of optoelectronic properties. The synthetic strategy presented herein may pave the way for the synthesis of conjugated DBP nanorings.
    Language English
    Publishing date 2018-05-23
    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.201800322
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  3. Article: A heterodinuclear, formal Au⁺ᴵPt⁰ complex with weakly bound alkene ligands

    Ernst, Lukas D / Koessler, Konstantin / Peter, Andreas / Kratzert, Daniel / Scherer, Harald / Butschke, Burkhard

    Chemical communications. 2020 May 19, v. 56, no. 40

    2020  

    Abstract: Ph₃P)AuPt(nbe)₃][BAr₄F] (nbe = norbornene) constitutes the first olefin-containing, formal Au⁺ᴵPt⁰ complex. The unusual coordination mode and the electronic properties have been analyzed spectroscopically and by calculations. The low binding energy of ... ...

    Abstract [(Ph₃P)AuPt(nbe)₃][BAr₄F] (nbe = norbornene) constitutes the first olefin-containing, formal Au⁺ᴵPt⁰ complex. The unusual coordination mode and the electronic properties have been analyzed spectroscopically and by calculations. The low binding energy of the nbe ligands make this complex a valuable precursor for formal Au⁺ᴵPt⁰ complexes and a candidate for heterobimetallic catalysis.
    Keywords catalytic activity ; chemical reactions ; energy ; ligands
    Language English
    Dates of publication 2020-0519
    Size p. 5350-5353.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/d0cc01719a
    Database NAL-Catalogue (AGRICOLA)

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  4. Article ; Online: A heterodinuclear, formal Au

    Ernst, Lukas D / Koessler, Konstantin / Peter, Andreas / Kratzert, Daniel / Scherer, Harald / Butschke, Burkhard

    Chemical communications (Cambridge, England)

    2020  Volume 56, Issue 40, Page(s) 5350–5353

    Abstract: ... ...

    Abstract [(Ph
    Language English
    Publishing date 2020-04-22
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/d0cc01719a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Cationic Niobium-Sandwich and Piano-Stool Complexes.

    Unkrig, Wiebke / Zhe, Fu / Tamim, Razan / Oesten, Friederike / Kratzert, Daniel / Krossing, Ingo

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2020  Volume 27, Issue 2, Page(s) 758–765

    Abstract: The syntheses of the homoleptic bis(arene) niobium cations [Nb(arene) ...

    Abstract The syntheses of the homoleptic bis(arene) niobium cations [Nb(arene)
    Language English
    Publishing date 2020-12-03
    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.202003748
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Group 6 Hexacarbonyls as Ligands for the Silver Cation: Syntheses, Characterization, and Analysis of the Bonding Compared with the Isoelectronic Group 5 Hexacarbonylates.

    Bohnenberger, Jan / Kratzert, Daniel / Gorantla, Sai Manoj N V T / Pan, Sudip / Frenking, Gernot / Krossing, Ingo

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2020  Volume 26, Issue 71, Page(s) 17203–17211

    Abstract: The syntheses of the two novel complexes [Ag{Mo/W(CO) ...

    Abstract The syntheses of the two novel complexes [Ag{Mo/W(CO)
    Language English
    Publishing date 2020-11-26
    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.202003934
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Dibenzo[a,e]pentalenes with Low-Lying LUMO Energy Levels as Potential n-Type Materials.

    Grenz, David C / Schmidt, Maximilian / Kratzert, Daniel / Esser, Birgit

    The Journal of organic chemistry

    2018  Volume 83, Issue 2, Page(s) 656–663

    Abstract: Ambipolar organic semiconductors are of high interest for organic field-effect transistors. For n-type conduction, low LUMO energies are required. Dibenzo[a,e]pentalenes (DBPs) are promising compounds; however, few derivatives exist with energetically ... ...

    Abstract Ambipolar organic semiconductors are of high interest for organic field-effect transistors. For n-type conduction, low LUMO energies are required. Dibenzo[a,e]pentalenes (DBPs) are promising compounds; however, few derivatives exist with energetically low-lying LUMO levels. Here, we present DBP derivatives with LUMO energies down to -3.73 eV and small bandgaps down to 1.63 eV determined through cyclic voltammetry, UV/vis absorption spectroscopy, and TDDFT calculations. Single-crystal X-ray diffraction analysis revealed a 1D π-stacking mode. The addition of arylalkynyl substituents at the five-membered rings in a facile and versatile synthetic route allowed for tuning of the band gaps and LUMO energies. The synthetic route can easily be modified to access a variety of DBP derivatives. The LUMO energies of the DBP derivatives presented herein make them attractive for an application in n-type or ambipolar field-effect transistors.
    Language English
    Publishing date 2018--19
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 123490-0
    ISSN 1520-6904 ; 0022-3263
    ISSN (online) 1520-6904
    ISSN 0022-3263
    DOI 10.1021/acs.joc.7b02250
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Critical role of H-aggregation for high-efficiency photoinduced charge generation in pristine pentamethine cyanine salts.

    Fish, George C / Moreno-Naranjo, Juan Manuel / Billion, Andreas / Kratzert, Daniel / Hack, Erwin / Krossing, Ingo / Nüesch, Frank / Moser, Jacques-E

    Physical chemistry chemical physics : PCCP

    2021  Volume 23, Issue 41, Page(s) 23886–23895

    Abstract: The mechanism of photoinduced symmetry-breaking charge separation in solid cyanine salts at the base of organic photovoltaic and optoelectronic devices is still debated. Here, we employ femtosecond transient absorption spectroscopy (TAS) to monitor the ... ...

    Abstract The mechanism of photoinduced symmetry-breaking charge separation in solid cyanine salts at the base of organic photovoltaic and optoelectronic devices is still debated. Here, we employ femtosecond transient absorption spectroscopy (TAS) to monitor the charge transfer processes occurring in thin films of pristine pentamethine cyanine (Cy5). Oxidized dye species are observed in Cy5-hexafluorophosphate salts upon photoexcitation, resulting from electron transfer from monomer excited states to H-aggregates. The charge separation proceeds with a quantum yield of 86%, providing the first direct proof of high efficiency intrinsic charge generation in organic salt semiconductors. The impact of the size of weakly coordinating anions on charge separation and transport is studied using TAS alongside electroabsorption spectroscopy and time-of-flight techniques. The degree of H-aggregation decreases with increasing anion size, resulting in reduced charge transfer. However, there is little change in carrier mobility, as despite the interchromophore distance increasing, the decrease in energetic disorder helps to alleviate the trapping of charges by H-aggregates.
    Language English
    Publishing date 2021-10-27
    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/d1cp03251h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Why Do Five Ga

    Glootz, Kim / Himmel, Daniel / Kratzert, Daniel / Butschke, Burkhard / Scherer, Harald / Krossing, Ingo

    Angewandte Chemie (International ed. in English)

    2019  Volume 58, Issue 40, Page(s) 14162–14166

    Abstract: The reaction of the ... ...

    Abstract The reaction of the Ga
    Language English
    Publishing date 2019-08-28
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.201907974
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  10. Article ; Online: Isolation of a stable pyridine radical anion.

    Schröder, Jan / Himmel, Daniel / Kratzert, Daniel / Radtke, Valentin / Richert, Sabine / Weber, Stefan / Böttcher, Tobias

    Chemical communications (Cambridge, England)

    2019  Volume 55, Issue 9, Page(s) 1322–1325

    Abstract: Reduction of 2,6-bis(diazaboryl)pyridine with KC8 gives a room-temperature-stable yellow colored solution containing the corresponding radical anion. The radical was characterized by single crystal XRD, EPR spectroscopy, UV-vis absorption spectroscopy ... ...

    Abstract Reduction of 2,6-bis(diazaboryl)pyridine with KC8 gives a room-temperature-stable yellow colored solution containing the corresponding radical anion. The radical was characterized by single crystal XRD, EPR spectroscopy, UV-vis absorption spectroscopy and electrochemically, supported by theoretical calculations. The negative charge and spin density are mainly distributed over the atoms of the pyridine ring, making this the first isolated pyridine radical anion as its potassium salt.
    Language English
    Publishing date 2019-01-25
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/c8cc09700c
    Database MEDical Literature Analysis and Retrieval System OnLINE

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