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Article ; Online: Theoretical Study of the d(d, p)^{3}H and d(d, n)^{3}He Processes at Low Energies.

Viviani, M / Girlanda, L / Kievsky, A / Logoteta, D / Marcucci, L E

2023 Volume 130, Issue 12, Page(s) 122501

Abstract: We present a theoretical study of the processes d(d,p)^{3}H and d(d,n)^{3}He at energies ...

Abstract	We present a theoretical study of the processes d(d,p)^{3}H and d(d,n)^{3}He at energies of interest for energy production and for big-bang nucleosynthesis. We accurately solve the four body scattering problem using the ab initio hyperspherical harmonics method, starting from nuclear Hamiltonians which include modern two- and three-nucleon interactions, derived in chiral effective field theory. We report results for the astrophysical S factor, the quintet suppression factor, and various single and double polarized observables. A first estimate of the theoretical uncertainty for all these quantities is provided by varying the cutoff parameter used to regularize the chiral interactions at high momentum.
Language	English
Publishing date	2023-04-06
Publishing country	United States
Document type	Journal Article
ZDB-ID	208853-8
ISSN	1079-7114 ; 0031-9007
ISSN (online)	1079-7114
ISSN	0031-9007
DOI	10.1103/PhysRevLett.130.122501
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Article ; Online: A new potassium-based intermediate and its role in the desorption properties of the K-Mg-N-H system.

Santoru, A / Garroni, S / Pistidda, C / Milanese, C / Girella, A / Marini, A / Masolo, E / Valentoni, A / Bergemann, N / Le, T T / Cao, H / Haase, D / Balmes, O / Taube, K / Mulas, G / Enzo, S / Klassen, T / Dornheim, M

Physical chemistry chemical physics : PCCP

2016 Volume 18, Issue 5, Page(s) 3910–3920

Abstract: ... the evolution of the phases connected with the hydrogen releasing processes. Evidence of a new K-N-H ...

Abstract	New insights into the reaction pathways of different potassium/magnesium amide-hydride based systems are discussed. In situ SR-PXD experiments were for the first time performed in order to reveal the evolution of the phases connected with the hydrogen releasing processes. Evidence of a new K-N-H intermediate is shown and discussed with particular focus on structural modification. Based on these results, a new reaction mechanism of amide-hydride anionic exchange is proposed.
Language	English
Publishing date	2016-02-07
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1476244-4
ISSN	1463-9084 ; 1463-9076
ISSN (online)	1463-9084
ISSN	1463-9076
DOI	10.1039/c5cp06963g
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Article ; Online: Redox controls on H and N speciation and intermolecular isotopic fractionations in aqueous fluids at high pressure and high temperature

Celia Dalou / Charles Le Losq / Evelyn Füri / Marie-Camille Caumon

Frontiers in Earth Science, Vol

Insights from in-situ experiments

2022 Volume 10

Abstract: Aqueous magmatic fluids are essential to the transport of hydrogen (H), carbon (C), and nitrogen (N ... the chemical speciation and intermolecular isotopic fractionations of H, C, and N. Here, we performed a series ... on the speciation and intermolecular fractionations of H and N during the decompression and cooling of aqueous ...

Abstract	Aqueous magmatic fluids are essential to the transport of hydrogen (H), carbon (C), and nitrogen (N) from the mantle to the surface, during which changes in pressure, temperature, and redox conditions affect the chemical speciation and intermolecular isotopic fractionations of H, C, and N. Here, we performed a series of hydrothermal diamond-anvil cell experiments to evaluate the role of pressure, temperature, and redox conditions on the speciation and intermolecular fractionations of H and N during the decompression and cooling of aqueous fluids from 780 MPa to 800°C to 150 MPa and 200°C. We used Raman spectroscopy to investigate the distribution and exchange reactions of H and N isotopologues between water, methane, ammonia, and di-nitrogen molecules under changing physicochemical conditions. Our experiments show that upon decompression, a C- and N-bearing fluid will preferentially degas D-rich methane and 15N-rich N2, depleting the residual aqueous fluid in those isotopes. If this fluid precipitates N-rich (i.e., NH4+-bearing) minerals, the observed N isotopic fractionation is opposite to that during N2 degassing, enriching the aqueous fluid in 15N. Because these fractionations result from changes in H, C, and N speciation in the aqueous fluid, their magnitudes depend on redox conditions as well as pressure and temperature. Our new in-situ experimental results are consistent with the large H and N isotopic fractionations observed between water, methane, and ammonia species in aqueous fluids at high pressures and temperatures, although the magnitude of the fractionations in our experiments cannot be quantified. Nonetheless, our results suggest that statistical thermodynamic models likely underestimate isotopic fractionation effects for isotopic molecules under these conditions, and should account for solubility and isotopic effects of the solvent associated with the solvation of water, methane, and ammonia isotopologues in aqueous fluids.This work has significant implications for interpreting isotopic ...
Keywords	hydrogen ; nitrogen ; aqueous fluids ; high pressure ; oxygen fugacity ; Raman spectroscopy ; Science ; Q
Subject code	550 ; 541
Language	English
Publishing date	2022-08-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Copper-Catalyzed N-Directed Distal C(sp³)–H Sulfonylation and Thiolation with Sulfinate Salts

Chen, Guang-Le / He, Shi-Hui / Cheng, Liang / Liu, Feng

Organic letters. 2021 Oct. 11, v. 23, no. 21

2021

Abstract: We herein report a selective and catalytic C(sp³)–H functionalization approach to access amines ... bearing organo-sulfonyl and organo-thiol groups. This reaction proceeds through a cascade process of N ... of functionalized amines. This method could enable primary, secondary, and tertiary C(sp³)–H sulfonylation and ...

Abstract	We herein report a selective and catalytic C(sp³)–H functionalization approach to access amines bearing organo-sulfonyl and organo-thiol groups. This reaction proceeds through a cascade process of N-radical formation, alkyl radical formation via 1,5-HAT, and C–S bond formation, thereby offering a series of functionalized amines. This method could enable primary, secondary, and tertiary C(sp³)–H sulfonylation and thiolation and also exhibits good functional group tolerance.
Keywords	amines ; methodology ; salting ; salts ; sulfonylation
Language	English
Dates of publication	2021-1011
Size	p. 8338-8342.
Publishing place	American Chemical Society
Document type	Article
ISSN	1523-7052
DOI	10.1021/acs.orglett.1c03075
Database	NAL-Catalogue (AGRICOLA)

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Book ; Article ; Online: A new potassium-based intermediate and its role in the desorption properties of the K–Mg–N–H system

Santoru, A. / Garroni, S. / Pistidda, C. / Milanese, C. / Girella, A. / Marini, A. / Masolo, E. / Valentoni, A. / Bergemann, N. / Le, T.T. / Cao, H. / Haase, D. / Balmes, O. / Taube, K. / Mulas, G. / Enzo, S. / Klassen, T. / Dornheim, M.

Physical Chemistry Chemical Physics ; 1463-9076

2016

Abstract: ... the evolution of the phases connected with the hydrogen releasing processes. Evidence of a new K–N–H ...

Abstract	New insights into the reaction pathways of different potassium/magnesium amide–hydride based systems are discussed. In situ SR-PXD experiments were for the first time performed in order to reveal the evolution of the phases connected with the hydrogen releasing processes. Evidence of a new K–N–H intermediate is shown and discussed with particular focus on structural modification. Based on these results, a new reaction mechanism of amide–hydride anionic exchange is proposed.
Keywords	Advanced Engineering Materials ; 620.11
Publisher	GKSS Forschungszentrum Geesthacht GmbH
Publishing country	de
Document type	Book ; Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.

Gramage-Doria, Rafael / Achelle, Sylvain / Bruneau, Christian / Robin-le Guen, Françoise / Dorcet, Vincent / Roisnel, Thierry

The Journal of organic chemistry

2018 Volume 83, Issue 3, Page(s) 1462–1477

Abstract: A general ruthenium(II)-catalyzed methodology enabling the (hetero)arylation of alkenylic C-H bonds ... the presence of additional nitrogen lone pairs remote from the C-H bond activation site, which could eventually ... poison the catalyst, the reaction times are short (3 h), thus being suitable for selective double C-H ...

Abstract	A general ruthenium(II)-catalyzed methodology enabling the (hetero)arylation of alkenylic C-H bonds utilizing a series of synthetically appealing diazines as directing groups is presented. Despite the presence of additional nitrogen lone pairs remote from the C-H bond activation site, which could eventually poison the catalyst, the reaction times are short (3 h), thus being suitable for selective double C-H bond arylation. Mixtures of E:Z isomeric products were observed in some cases, which were further hydrogenated in a tandem manner in the presence of the remaining ruthenium catalyst from the first step, representing an alternative approach to more difficult C(sp
Language	English
Publishing date	2018--02
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.7b03024
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Article: Fe-Catalyzed Sequential C(sp³)–H/N–H Annulation of 2-Methylindoles with Ethyl Trifluoropyruvate at Room Temperature: Construction of Pyrrolo[1,2-α]indoles

Wang, Le / Zhou, Jia / Chen, Han-Qia / Li, Dong-Li / Lin, Jun-Bing / Li, Ke / Ding, Tong-Mei / Zhang, Shu-Yu

Organic letters. 2020 June 04, v. 22, no. 12

2020

Abstract: ... C(sp³)–H/N–H annulation to construct pyrroloindole scaffolds. This strategy features cheap and ...

Abstract	An efficient and benign iron-catalyzed room-temperature method was developed for direct sequential C(sp³)–H/N–H annulation to construct pyrroloindole scaffolds. This strategy features cheap and readily available raw materials and mild room-temperature reaction conditions and provides a green and practical method for the one-pot rapid synthesis of a wide range of diversely functionalized pyrrolo[1,2-α]indoles.
Keywords	ambient temperature ; indoles ; rapid methods ; raw materials ; synthesis
Language	English
Dates of publication	2020-0604
Size	p. 4716-4720.
Publishing place	American Chemical Society
Document type	Article
Note	NALT-AP-4-rerunAP2-fuzzy
ISSN	1523-7052
DOI	10.1021/acs.orglett.0c01522
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Article: N,N-dimethyl-D-glucosamine as an efficient ligand for copper-catalyzed Ullmann-type coupling of N-H heterocycles with aryl halides

Wei, Jiao Jiao / Bo Le Wei / Li Jiang Xuan / Wei Bin Song / Ye Fu Zhu

Tetrahedron. 2017,

2017

Abstract: ... coupling of N-H heterocycles (e.g., indoles, benzimidazoles, pyrazoles and triazoles) with aryl halides ... A new N,N-dimethyl-d-glucosamine ligand has been developed for the copper-catalyzed Ullmann-type ... in the construction of N-aryl heterocyclic systems. ...

Abstract	A new N,N-dimethyl-d-glucosamine ligand has been developed for the copper-catalyzed Ullmann-type coupling of N-H heterocycles (e.g., indoles, benzimidazoles, pyrazoles and triazoles) with aryl halides. This method was accomplished not only featuring excellent yields, mild reaction conditions and simple operation, but also showing eco-friendly and broad-spectrum substrates, and could be widely used in the construction of N-aryl heterocyclic systems.
Keywords	benzimidazoles ; chemical reactions ; chemical structure ; halides ; indoles ; ligands ; pyrazoles ; triazoles
Language	English
Size	p. .
Publishing place	Elsevier Ltd
Document type	Article
Note	Pre-press version
ZDB-ID	204285-x
ISSN	1464-5416 ; 0040-4020 ; 0563-2064
ISSN (online)	1464-5416
ISSN	0040-4020 ; 0563-2064
DOI	10.1016/j.tet.2017.11.027
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Article ; Online: Direct Intermolecular C-H Functionalization Triggered by 1,5-Hydride Shift: Access to N-Arylprolinamides via Ugi-Type Reaction.

Zhen, Le / Wang, Jiankun / Xu, Qing-Long / Sun, Hongbin / Wen, Xiaoan / Wang, Guangji

Organic letters

2017 Volume 19, Issue 7, Page(s) 1566–1569

Abstract: A novel Ugi-type reaction triggered by 1,5-hydride shift has been established, giving access to N ...

Abstract	A novel Ugi-type reaction triggered by 1,5-hydride shift has been established, giving access to N-arylprolinamides and related compounds in high atom economy and good yields. This is an example of a two starting material-three component reaction. The benzyl alcohol substrate 1 acts as a dual synthon, which upon treatment with a Brønsted acid affords iminium ion and water. Nucleophilic attack at the iminium ion by the third component isocyanide, followed by hydrolysis with the endogenic water, gives the Ugi-type reaction products. The reaction proceeds under mild conditions and is tolerable to a broad scope of substrates.
Language	English
Publishing date	2017-04-07
Publishing country	United States
Document type	Journal Article
ISSN	1523-7052
ISSN (online)	1523-7052
DOI	10.1021/acs.orglett.7b00378
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Energy Scan of the e^{+}e^{-}→h_{b}(nP)π^{+}π^{-} (n=1, 2) Cross Sections and Evidence for ϒ(11020) Decays into Charged Bottomoniumlike States.

Mizuk, R / Bondar, A / Adachi, I / Aihara, H / Asner, D M / Atmacan, H / Aulchenko, V / Aushev, T / Ayad, R / Badhrees, I / Bakich, A M / Barberio, E / Behera, P / Bhardwaj, V / Bhuyan, B / Biswal, J / Bobrov, A / Bonvicini, G / Bozek, A /

Bračko, M / Browder, T E / Červenkov, D / Chekelian, V / Chen, A / Cheon, B G / Chilikin, K / Chistov, R / Chobanova, V / Choi, S-K / Choi, Y / Cinabro, D / Dalseno, J / Danilov, M / Dash, N / Doležal, Z / Drutskoy, A / Eidelman, S / Epifanov, D / Ferber, T / Fulsom, B G / Gaur, V / Garmash, A / Gillard, R / Goh, Y M / Goldenzweig, P / Golob, B / Greenwald, D / Hara, T / Hayasaka, K / Hayashii, H / Hou, W-S / Hsu, C-L / Inami, K / Inguglia, G / Ishikawa, A / Iwasaki, Y / Jaegle, I / Julius, T / Kang, K H / Katrenko, P / Kim, D Y / Kim, H J / Kim, J B / Kim, K T / Kim, M J / Kim, S H / Kim, Y J / Kinoshita, K / Kodyš, P / Korpar, S / Kotchetkov, D / Krokovny, P / Kuhr, T / Kuzmin, A / Kwon, Y-J / Lange, J S / Li, C H / Li, H / Li, L / Li Gioi, L / Libby, J / Liventsev, D / Lubej, M / Luo, T / Masuda, M / Matsuda, T / Matvienko, D / Miyabayashi, K / Miyata, H / Mohanty, G B / Moll, A / Nakano, E / Nakao, M / Nanut, T / Nath, K J / Negishi, K / Niiyama, M / Nisar, N K / Nishida, S / Ogawa, S / Okuno, S / Olsen, S L / Onuki, Y / Pakhlov, P / Pakhlova, G / Pal, B / Park, C W / Park, H / Paul, S / Pedlar, T K / Pestotnik, R / Petrič, M / Piilonen, L E / Pulvermacher, C / Ritter, M / Sakai, Y / Sandilya, S / Sanuki, T / Savinov, V / Schlüter, T / Schneider, O / Schnell, G / Schwanda, C / Seino, Y / Semmler, D / Senyo, K / Seon, O / Sevior, M E / Shebalin, V / Shibata, T-A / Shiu, J-G / Shwartz, B / Simon, F / Solovieva, E / Starič, M / Stypula, J / Sumiyoshi, T / Takizawa, M / Tamponi, U / Tanida, K / Teramoto, Y / Tikhomirov, I / Trabelsi, K / Uchida, M / Uglov, T / Unno, Y / Uno, S / Urquijo, P / Usov, Y / Van Hulse, C / Varner, G / Vorobyev, V / Wang, C H / Wang, M-Z / Wang, P / Wang, X L / Watanabe, Y / Williams, K M / Won, E / Yamaoka, J / Yamashita, Y / Yelton, J / Yuan, C Z / Zhang, Z P / Zhilich, V / Zhukova, V / Zhulanov, V / Zupanc, A

Physical review letters

2016 Volume 117, Issue 14, Page(s) 142001

Abstract: ... we measure the energy dependence of the e^{+}e^{-}→h_{b}(nP)π^{+}π^{-} (n=1, 2) cross sections ... contribution. We study the resonant substructure of the ϒ(11020)→h_{b}(nP)π^{+}π^{-} transitions and find ...

Abstract	Using data collected with the Belle detector at the KEKB asymmetric-energy e^{+}e^{-} collider, we measure the energy dependence of the e^{+}e^{-}→h_{b}(nP)π^{+}π^{-} (n=1, 2) cross sections from thresholds up to 11.02 GeV. We find clear ϒ(10860) and ϒ(11020) peaks with little or no continuum contribution. We study the resonant substructure of the ϒ(11020)→h_{b}(nP)π^{+}π^{-} transitions and find evidence that they proceed entirely via the intermediate isovector states Z_{b}(10610) and Z_{b}(10650). The relative fraction of these states is loosely constrained by the current data: The hypothesis that only Z_{b}(10610) is produced is excluded at the level of 3.3 standard deviations, while the hypothesis that only Z_{b}(10650) is produced is not excluded at a significant level.
Language	English
Publishing date	2016-09-30
Publishing country	United States
Document type	Journal Article
ZDB-ID	208853-8
ISSN	1079-7114 ; 0031-9007
ISSN (online)	1079-7114
ISSN	0031-9007
DOI	10.1103/PhysRevLett.117.142001
Database	MEDical Literature Analysis and Retrieval System OnLINE

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