LIVIVO - The Search Portal for Life Sciences

zur deutschen Oberfläche wechseln
Advanced search

Search results

Result 1 - 3 of total 3

Search options

  1. Article ; Online: Quantum Chemistry-Machine Learning Approach for Predicting Properties of Lewis Acid-Lewis Base Adducts.

    Huynh, Hieu / Kelly, Thomas J / Vu, Linh / Hoang, Tung / Nguyen, Phuc An / Le, Tu C / Jarvis, Emily A / Phan, Hung

    ACS omega

    2023  Volume 8, Issue 21, Page(s) 19119–19127

    Abstract: Synthetic design allowing predictive control of charge transfer and other optoelectronic properties of Lewis acid adducts remains elusive. This challenge must be addressed through complementary methods combining experimental with computational insights ... ...

    Abstract Synthetic design allowing predictive control of charge transfer and other optoelectronic properties of Lewis acid adducts remains elusive. This challenge must be addressed through complementary methods combining experimental with computational insights from first principles.
    Language English
    Publishing date 2023-05-19
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c02822
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  2. Article: Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8

    Anh Tran, Vy / Nhu Quynh, Le Thi / Thi Vo, Thu-Thao / Nguyen, Phuc An / Don, Ta Ngoc / Vasseghian, Yasser / Phan, Hung / Lee, Sang-Wha

    Environmental research. 2022 Mar., v. 204

    2022  

    Abstract: ZIF-8 is a highly porous, stable, and abundant surface area material that can be used as an environmentally friendly catalyst for Knoevenagel condensations. The effects of the ratio of the reactants (benzaldehyde (BA):ethyl cyanoacetate (ECA)), reaction ... ...

    Abstract ZIF-8 is a highly porous, stable, and abundant surface area material that can be used as an environmentally friendly catalyst for Knoevenagel condensations. The effects of the ratio of the reactants (benzaldehyde (BA):ethyl cyanoacetate (ECA)), reaction temperature, and catalyst concentration were systematically investigated using a ZIF-8 catalyst and water as the solvent. ZIF-8 (3–5 wt%) showed excellent catalytic performance with an almost complete conversion of BA in less than 6 h with a BA:ECA molar ratio of 1:2 at different temperatures. At 60 °C, the BA conversion rate and product selectivity of the reaction reached their highest values after 4 h with a BA:ECA molar ratio of 1:1. When employing 5.0 wt% ZIF-8, almost complete BA conversion was achieved after 3 h at room temperature. ZIF-8 also demonstrated good recyclability with almost no change in its catalytic activity over five cycles. The proposed reaction mechanism is based on the catalytic activity of the basic N sites on the surface of ZIF-8, and is supported by density functional theory calculations. The present approach provides a promising strategy for the construction of simple and environmentally friendly ZIF-8 catalysts.
    Keywords ambient temperature ; benzaldehyde ; catalysts ; catalytic activity ; condensation reactions ; density functional theory ; reaction mechanisms ; research ; solvents ; surface area
    Language English
    Dates of publication 2022-03
    Publishing place Elsevier Inc.
    Document type Article
    ZDB-ID 205699-9
    ISSN 1096-0953 ; 0013-9351
    ISSN (online) 1096-0953
    ISSN 0013-9351
    DOI 10.1016/j.envres.2021.112364
    Database NAL-Catalogue (AGRICOLA)

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 726: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  3. Article ; Online: Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8.

    Anh Tran, Vy / Nhu Quynh, Le Thi / Thi Vo, Thu-Thao / Nguyen, Phuc An / Don, Ta Ngoc / Vasseghian, Yasser / Phan, Hung / Lee, Sang-Wha

    Environmental research

    2021  Volume 204, Issue Pt D, Page(s) 112364

    Abstract: ZIF-8 is a highly porous, stable, and abundant surface area material that can be used as an environmentally friendly catalyst for Knoevenagel condensations. The effects of the ratio of the reactants (benzaldehyde (BA):ethyl cyanoacetate (ECA)), reaction ... ...

    Abstract ZIF-8 is a highly porous, stable, and abundant surface area material that can be used as an environmentally friendly catalyst for Knoevenagel condensations. The effects of the ratio of the reactants (benzaldehyde (BA):ethyl cyanoacetate (ECA)), reaction temperature, and catalyst concentration were systematically investigated using a ZIF-8 catalyst and water as the solvent. ZIF-8 (3-5 wt%) showed excellent catalytic performance with an almost complete conversion of BA in less than 6 h with a BA:ECA molar ratio of 1:2 at different temperatures. At 60 °C, the BA conversion rate and product selectivity of the reaction reached their highest values after 4 h with a BA:ECA molar ratio of 1:1. When employing 5.0 wt% ZIF-8, almost complete BA conversion was achieved after 3 h at room temperature. ZIF-8 also demonstrated good recyclability with almost no change in its catalytic activity over five cycles. The proposed reaction mechanism is based on the catalytic activity of the basic N sites on the surface of ZIF-8, and is supported by density functional theory calculations. The present approach provides a promising strategy for the construction of simple and environmentally friendly ZIF-8 catalysts.
    MeSH term(s) Catalysis ; Porosity ; Zeolites
    Chemical Substances Zeolites (1318-02-1)
    Language English
    Publishing date 2021-11-09
    Publishing country Netherlands
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 205699-9
    ISSN 1096-0953 ; 0013-9351
    ISSN (online) 1096-0953
    ISSN 0013-9351
    DOI 10.1016/j.envres.2021.112364
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 726: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

To top