Infrared Photodissociation Spectroscopic and Theoretical Study of Homoleptic Dinuclear Chromium Carbonyl Cluster Cations with a Linear Bridging Carbonyl Group

2012 ◽  
Vol 116 (50) ◽  
pp. 12349-12356 ◽  
Author(s):  
Xiaojie Zhou ◽  
Jieming Cui ◽  
Zhen Hua Li ◽  
Guanjun Wang ◽  
Mingfei Zhou
Keyword(s):  
Carbonyl Group ◽  
Theoretical Study ◽  
Carbonyl Cluster ◽  
Chromium Carbonyl

Hydration of the Carbonyl Group. A Theoretical Study of the Cooperative Mechanism

1995 ◽  
Vol 117 (15) ◽  
pp. 4240-4260 ◽  
Author(s):  
Saul Wolfe ◽  
Chan-Kyung Kim ◽  
Kiyull Yang ◽  
Noham Weinberg ◽  
Zheng Shi
Keyword(s):  
Carbonyl Group ◽  
Theoretical Study ◽  
Group A

Theoretical study of the mechanism of two successive N-methylene C–H bond activations on a phosphine-tethered N-heterocyclic carbene on a triruthenium carbonyl cluster

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 99625-99630 ◽  
Author(s):  
Jing Yan ◽  
Zhe Han ◽  
Dongju Zhang ◽  
Chengbu Liu
Keyword(s):  
Dft Calculations ◽  
Theoretical Study ◽  
Carbonyl Cluster ◽  
Carbene Complexes ◽  
Bond Activations

DFT calculations clarify the mechanism details of successive N-methylene C–H bond activations on N-heterocyclic triruthenium carbene complexes.

Theoretical study of neighboring carbonyl group participation in the elimination kinetics of chloroketones in the gas phase

2010 ◽  
Vol 24 (3) ◽  
pp. 229-240 ◽  
Author(s):  
José R. Mora ◽  
Jesús Lezama ◽  
Edgar Márquez ◽  
Luz Escalante ◽  
Tania Córdova ◽  
...  
Keyword(s):  
Gas Phase ◽  
Carbonyl Group ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Group Participation ◽  
Kinetics Of

Bonding in homoleptic iron carbonyl cluster cations: a combined infrared photodissociation spectroscopic and theoretical study

2012 ◽  
Vol 3 (11) ◽  
pp. 3272 ◽  
Author(s):  
Guanjun Wang ◽  
Jieming Cui ◽  
Chaoxian Chi ◽  
Xiaojie Zhou ◽  
Zhen Hua Li ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Iron Carbonyl ◽  
Carbonyl Cluster

Theoretical study and synthesis of the reaction between triphenylphosphine, dialkyl acetylenedicarboxylates and 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole

2010 ◽  
Vol 75 (8) ◽  
pp. 785-805 ◽  
Author(s):  
Sayyed Mostafa Habibi-Khorassani ◽  
Malek Taher Maghsoodlou ◽  
Ali Ebrahimi ◽  
Reza Heydari ◽  
Nourollah Hazeri ◽  
...  
Keyword(s):  
Double Bond ◽  
Carbonyl Group ◽  
Heterocyclic Compounds ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Phosphorus Ylides ◽  
Geometrical Isomers ◽  
Dialkyl Acetylenedicarboxylates ◽  
Single Isomer ◽  
Stable Phosphorus Ylides

Triphenylphosphine reacts with dialkyl acetylenedicarboxylates in the presence of heterocyclic compounds, such as 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole to generate stable phosphorus ylides. Some ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon–carbon partical double bond resulting from conjugation of the ylide moiety with the adjacent carbonyl group, whereas others occur as a single isomer only. For this reason, the assignments of more stable Z- or E-isomers as the major or minor forms were investigated using theoretical calculations.

Site-selectivity control in hetero-Diels–Alder reactions of methylidene derivatives of lawsone through modification of the reactive carbonyl group: an experimental and theoretical study

2019 ◽  
Vol 17 (3) ◽  
pp. 692-702 ◽  
Author(s):  
Maria Tsanakopoulou ◽  
Erifili Tsovaltzi ◽  
Marina A. Tzani ◽  
Periklis Selevos ◽  
Elizabeth Malamidou-Xenikaki ◽  
...  
Keyword(s):  
Carbonyl Group ◽  
Theoretical Study ◽  
Diels Alder ◽  
Site Selectivity ◽  
Selectivity Control ◽  
Derivatives Of ◽  
Reactive Carbonyl

Selective monoacetalization of lawsone inverts the site-selectivity of the Diels–Alder reactions of its alkylidene derivatives favoring the protected β-lapachone derivatives.

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