Search results for: Jen‐Shiang K. Yu

Items from 1 to 20 out of 20 results

article

Dipole‐bound states and substituent effects of Breslow intermediates in the enolate form

Ming‐Hsiu Hsieh, Gou‐Tao Huang, Jen‐Shiang K. Yu

Journal of the Chinese Chemical Society > 68 > 11 > 2060 - 2070

Breslow intermediates play crucial roles in both umpolung and redox reactions in N‐heterocyclic carbene catalysis. Compared to the well‐known nucleophilic character, the electronic structure of Breslow intermediates on the radical route is still unclear. We investigate the potential energy surfaces with high‐level ab initio methods for four typical Breslow intermediates in both of their enol and enolate...

article

Reversible Cleavage/Formation of the Chromium–Chromium Quintuple Bond in the Highly Regioselective Alkyne Cyclotrimerization

Yu‐Siang Huang, Gou‐Tao Huang, Yao‐Lun Liu, Jen‐Shiang K. Yu, more

Angewandte Chemie > 129 > 48 > 15629 - 15633

Herein we report the employment of the quintuply bonded dichromium amidinates [Cr{κ²‐HC(N‐2,6‐ⁱPr₂C₆H₃)(N‐2,6‐R₂C₆H₃)}]₂ (R=iPr (1), Me (7)) as catalysts to mediate the [2+2+2] cyclotrimerization of terminal alkynes giving 1,3,5‐trisubstituted benzenes. During the catalysis, the ultrashort Cr−Cr quintuple bond underwent reversible cleavage/formation, corroborated by the characterization of two inverted...

article

Reversible Cleavage/Formation of the Chromium–Chromium Quintuple Bond in the Highly Regioselective Alkyne Cyclotrimerization

Yu‐Siang Huang, Gou‐Tao Huang, Yao‐Lun Liu, Jen‐Shiang K. Yu, more

Angewandte Chemie International Edition > 56 > 48 > 15427 - 15431

article

Enhanced hydrogen generation from formic acid by a biomimetic ruthenium complex with a covalently bonded phosphine ligand

Mei-Hua Chen, Jia-Hoa Lin, Chuen-Ru Li, Jacek Gliniak, more

International Journal of Hydrogen Energy > 2017 > 42 > 15 > 9784-9794

A series of [Ru₂(CO)₅(μ-SCH₂CH₂CH₂S)PXS] complexes (Ru₂-S₂-PXS, X = phosphine ligands, S = 1–8) have been synthesized and evaluated for their photocatalytic H₂ generation efficiencies from formic acid decomposition. The [Ru₂(CO)₅(μ-SCH₂CH₂CH₂S)P(o-C₆H₄CH₃)₃] (Ru₂-S₂-PX4) catalyst + P(CH₃)₃ ligand exhibited a high turnover frequency of 15,840 h⁻¹ and turnover number of 24,536. A mechanistic investigation...

article

A Ruthenium‐Based Biomimetic Hydrogen Cluster for Efficient Photocatalytic Hydrogen Generation from Formic Acid

Chin‐Hao Chang, Mei‐Hua Chen, Wan‐Shan Du, Jacek Gliniak, more

Chemistry – A European Journal > 21 > 17 > 6617 - 6622

A ruthenium‐based biomimetic hydrogen cluster, [Ru₂(CO)₆(μ‐SCH₂CH₂CH₂S)] (1), has been synthesized and, in the presence of the P ligand tri(o‐tolyl)phosphine, demonstrated efficient photocatalytic hydrogen generation from formic acid decomposition. Turnover frequencies (TOFs) of 5500 h⁻¹ and turnover numbers (TONs) over 24 700 were obtained with less than 50 ppm of the catalyst, thus representing...

article

Reactions of Metal–Metal Quintuple Bonds with Alkynes: [2+2+2] and [2+2] Cycloadditions

Hong‐Zhang Chen, Shih‐Cheng Liu, Chun‐Hsu Yen, Jen‐Shiang K. Yu, more

Angewandte Chemie > 124 > 41 > 10488 - 10492

Dritter Flügel: Das Molybdänamidinat 1 mit Fünffachbindung reagiert mit zwei Äquivalenten 1‐Pentin in einer [2+2+2]‐Cycloaddition zu dem ersten benzanellierten Produkt des Typs 2, dessen C₄Mo₂‐Ringe aromatischen Charakter haben. Umsetzungen von 1 mit inneren Alkinen ergaben [2+2]‐Cycloaddukte im Verhältnis 2:1 und 1:1 nach einem ähnlichen Mechanismus wie bei der Bildung von 2.

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Reactions of Metal–Metal Quintuple Bonds with Alkynes: [2+2+2] and [2+2] Cycloadditions

Hong‐Zhang Chen, Shih‐Cheng Liu, Chun‐Hsu Yen, Jen‐Shiang K. Yu, more

Angewandte Chemie International Edition > 51 > 41 > 10342 - 10346

High five! The quintuply bonded molybdenum amidinate 1 reacts with two equivalents of 1‐pentyne through a [2+2+2] cycloaddition reaction to give the first examples of the benzannulated product 2. The C₄Mo₂ rings exhibit aromatic character. Treatment of 1 with internal alkynes afforded the 2:1 and 1:1 [2+2] cycloadducts, which are mechanistically associated with the formation of 2.

article

Stepwise Construction of the CrCr Quintuple Bond and Its Destruction upon Axial Coordination

Yu‐Lun Huang, Duan‐Yen Lu, Hsien‐Cheng Yu, Jen‐Shiang K. Yu, more

Angewandte Chemie > 124 > 31 > 7901 - 7905

Gib mir fünf! Vierzähnige 2,6‐Diamidopyridyl‐Liganden wurden genutzt, um eine Cr‐Cr‐Fünffachbindung zu stabilisieren. Neben dem Cr‐Cr‐Komplex wurden auch gemischtvalente Zwischenstufen (Cr^I und Cr^II) isoliert und charakterisiert, die wichtige Spezies bei der Bildung von fünffach gebundenen Typ‐I‐Komplexen sind.

article

Stepwise Construction of the CrCr Quintuple Bond and Its Destruction upon Axial Coordination

Yu‐Lun Huang, Duan‐Yen Lu, Hsien‐Cheng Yu, Jen‐Shiang K. Yu, more

Angewandte Chemie International Edition > 51 > 31 > 7781 - 7785

Give me five! Terdentate 2,6‐diamidopyridyl ligands were used to stabilize the CrCr quintuple bond and have made it possible to isolate and characterize not only the CrCr quintuple‐bonded complex, but also the mixed‐valent intermediates (Cr^I and Cr^II), which are important species in the formation of type I quintuple‐bonded complexes.

article

A Theoretical Revisit to the Lowest Ionization Potentials in Metal–Metal Bonds

I‐Ya Chang, Jen‐Shiang K. Yu

Chemistry – A European Journal > 18 > 30 > 9189 - 9193

The ties that bind: The electrostatic potential of quadruply bonded W₂(hpp)₄ and its cation support the idea that the very low ionization energies are due to excitations from the metal–metal bonding core. Theoretical MRCI computations based on CASSCF orbitals show that the relativistic effect influences the lowest four ionization energies, leading to distinct IE sequences: IE_δ < IE_π < IE_σ in...

article

An Electron‐Rich Molybdenum–Molybdenum Quintuple Bond Spanned by One Lithium Atom

Shin‐Cheng Liu, Wei‐Lun Ke, Jen‐Shiang K. Yu, Ting‐Shen Kuo, more

Angewandte Chemie > 124 > 26 > 6500 - 6503

Nimm fünf: Ein einzigartiger, fünffach gebundener Dimolybdän‐Komplex [Mo₂(μ‐Li){μ‐HC(N‐2,6‐Et₂C₆H₃)₂}₃] (siehe Bild) wurde synthetisiert und charakterisiert. Die Mo‐Mo‐Wechselwirkung schließt ein unerwartetes verbrückendes Li⁺‐Ion mit ein. Berechnungen zeigen, dass das verbrückende Li⁺‐Ion die Mo‐Mo‐Bindungslänge nicht beeinflusst (2.0612(4) Å), aber eine relativ kleine effektive Mo‐Mo‐Bindungsordnung...

article

An Electron‐Rich Molybdenum–Molybdenum Quintuple Bond Spanned by One Lithium Atom

Shin‐Cheng Liu, Wei‐Lun Ke, Jen‐Shiang K. Yu, Ting‐Shen Kuo, more

Angewandte Chemie International Edition > 51 > 26 > 6394 - 6397

Take five: A unique quintuply bonded dimolybdenum complex [Mo₂(μ‐Li){μ‐HC(N‐2,6‐Et₂C₆H₃)₂}₃] (see picture) was synthesized and characterized. The MoMo interaction includes an unexpected bridging Li⁺ ion. Calculations indicate the bridging Li⁺ ion does not perturb the MoMo bond length (2.0612(4) Å), but results in a relatively small effective MoMo bond order of 3.67.

article

Theory‐Guided Experiments on the Mechanistic Elucidation of the Reduction of Dinuclear Zinc, Manganese, and Cadmium Complexes

Duan‐Yen Lu, Jen‐Shiang K. Yu, Ting‐Shen Kuo, Gene‐Hsiang Lee, more

Angewandte Chemie > 123 > 33 > 7753 - 7757

Zwei Dimangankomplexe mit Mn‐Mn‐Bindungen sowie der gezeigte Tetracadmiumkomplex wurden durch Reduktion von [M₂{μ‐κ²‐Me₂Si(NDipp)₂}₂] (M=Mn, Cd; Dipp=2,6‐iPr₂C₆H₃) erhalten. Die Strukturen der Komplexe stimmen mit berechneten Zwischenstufen der Reduktion von [Zn₂{μ‐κ²‐Me₂Si(NDipp)₂}₂] überein.

article

Theory‐Guided Experiments on the Mechanistic Elucidation of the Reduction of Dinuclear Zinc, Manganese, and Cadmium Complexes

Duan‐Yen Lu, Jen‐Shiang K. Yu, Ting‐Shen Kuo, Gene‐Hsiang Lee, more

Angewandte Chemie International Edition > 50 > 33 > 7611 - 7615

Two MnMn‐bonded dimanganese complexes, as well as the tetracadmium complex shown in the picture, were obtained by reduction of [M₂{μ‐κ²‐Me₂Si(NDipp)₂}₂] (M=Mn, Cd; Dipp=2,6‐iPr₂C₆H₃). Their structures are consistent with those of calculated intermediates in the reduction of [Zn₂{μ‐κ²‐Me₂Si(NDipp)₂}₂].

article

Journey from Mo−Mo Quadruple Bonds to Quintuple Bonds

Yi-Chou Tsai, Hong-Zhang Chen, Chie-Chieh Chang, Jen-Shiang K. Yu, more

Journal of the American Chemical Society > 2009 > 131 > 35 > 12534 - 12535

article

A Three-Coordinate and Quadruply Bonded Mo−Mo Complex

Yi-Chou Tsai, Yang-Miin Lin, Jen-Shiang K. Yu, Jenn-Kang Hwang

Journal of the American Chemical Society > 2006 > 128 > 43 > 13980 - 13981

article

Reply to “Comment on ‘Time-Dependent Density Functional Study of Electroluminescent Polymers'”

Jen-Shiang K. Yu, Chin-Hui Yu

The Journal of Physical Chemistry A > 2004 > 108 > 42 > 9318 - 9318

article

Time-Dependent Density Functional Study of Electroluminescent Polymers

Jen-Shiang K. Yu, Chen, Chin-Hui Yu

The Journal of Physical Chemistry A > 2003 > 107 > 21 > 4268 - 4275

article

Valence ionic states and dissociative photoionization of CH ₃ CFCl ₂ with synchrotron radiation

Su-Yu Chiang, Tsai-Te Wang, Jen-Shiang K. Yu, Chin-hui Yu

Chemical Physics Letters > 2000 > 329 > 3-4 > 185-190

Valence ionic states and dissociative photoionization of CH ₃ CFCl ₂ in 11-19 eV are investigated with threshold photoelectron and photoionization mass spectrometry (PIMS). Valence ionic states are assigned on comparison of vertical ionization energies determined in the threshold photoelectron spectrum with theoretically predicted values. Major fragments CH ₃ CFCl ⁺ ...

article

Ab initio study of the decomposition of formaldehyde

Jen-Shiang K. Yu, Chin-hui Yu

Chemical Physics Letters > 1997 > 271 > 4-6 > 259-265

The formaldehyde decomposition occurs via two reaction paths: the molecular channel that produces H ₂ and CO, and the radical channel that produces H and HCO. Geometry of each compound was optimized up to the QCISD/6-311 + + G(2df,2pd) level of theory, and the result agreed well with the experimental data. The energies of the best optimized geometry were calculated at the QCISD and QCISD(T)...

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AMIDINATE (2)
CADMIUM (2)
CHROM (2)
CHROMIUM (2)
FÜNFFACHBINDUNGEN (2)
LITHIUM (2)
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IONIZATION POTENTIALS (1)
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METALL‐METALL‐WECHSELWIRKUNGEN (1)
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[2+2+2] CYCLOTRIMERIZATION (1)
[2+2+2]-CYCLOTRIMERISIERUNG (1)
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