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Enzyme Catalysis that Paves the Way for S-Sulfhydration via Sulfur Atom Transfer.
TLDR
Mechanistic studies on S-sulfhydration in MST using QM/MM methods show that the sulfur atom transfer initialized by the deprotonation of the Ser250/His74/Asp63 triad is kinetically preferred to the SH-promoted sulfur transfer. Expand
AB INITIO STUDY OF THE DECOMPOSITION OF FORMALDEHYDE
Abstract 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 wasExpand
Quintuply-bonded dichromium(I) complexes featuring metal-metal bond lengths of 1.74 A.
TLDR
A series of complexes of the form [Cr2{m-h -ArNC(R)NAr}2], which all exhibit very short Cr Cr quintuple-bond lengths of approximately 1.74, are reported, from which metal–metal quintuple bonds are expected. Expand
Remarkably short metal-metal bonds: a lantern-type quintuply bonded dichromium(I) complex.
TLDR
The use of amidinate ligand ArNC(H)NAr (Ar= 2,6-C6H3(CH3)2) to stabilize mixed-valent Cr2 3+ complex [Cr2(ArNC( H)N Ar)3] (2) with formal Cr Cr bond order of 4.0). Expand
Journey from Mo-Mo quadruple bonds to quintuple bonds.
TLDR
The Mo-Mo quintuple bonding characters are corroborated by DFT calculations at the level of BP86/def2-TZVP and BP86/(Cl(2)Li(OEt(2))][mu-eta(2)-RC(N-2,6-i-Pr (2)C(6)H(3))(2)]( 2) (R = H (1), Ph (2)). Expand
Structural transformations in dinuclear zinc complexes involving Zn-Zn bonds.
TLDR
The mechanism of the observed structural transformations arising from the Zn-Zn bond formation involving the intermediate of [Zn(2)(mu-eta(2)-Me(2)Si(NDipp)(2))(2)](-) was elucidated by elaborate computations. Expand
Reactions of metal-metal quintuple bonds with alkynes: [2+2+2] and [2+2] cycloadditions.
TLDR
The chemistry of transition-metal multiple bonding was recently reawakened by the recognition of the first isolable quintuply bonded dimeric chromium complex Cr2Ar’2 by Power and co-workers and the bonding analogy between the C C p components of alkynes and metal–metal d components in the quint uply bonded species was reviewed. Expand
Stepwise construction of the Cr-Cr quintuple bond and its destruction upon axial coordination.
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,Expand
An electron-rich molybdenum-molybdenum quintuple bond spanned by one lithium atom.
TLDR
A unique quintuply bonded dimolybdenum complex was synthesized and characterized, and the Mo-Mo interaction includes an unexpected bridging Li(+) ion. Expand
A three-coordinate and quadruply bonded Mo-Mo complex.
TLDR
The air- and moisture-sensitive compound 1 was characterized by NMR spectroscopic, elemental, and single-crystal X-ray crystallographic analysis, and density functional theory computations on compound 2 provided insight into the intriguing Mo-Mo quadruple bond. Expand
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