Search results for "propan-2-ol"

showing 10 items of 43 documents

CCDC 1567348: Experimental Crystal Structure Determination

2017

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Sergiu Shova, Francesc Lloret, and Miguel Julve|2017|Inorg.Chem.|56|12594|doi:10.1021/acs.inorgchem.7b02050

(mu-cyano)-diaqua-heptacyano-bis[2-(1H-imidazol-2-yl)pyridine]-(propan-2-ol)-dysprosium-tungsten dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1567349: Experimental Crystal Structure Determination

2017

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Sergiu Shova, Francesc Lloret, and Miguel Julve|2017|Inorg.Chem.|56|12594|doi:10.1021/acs.inorgchem.7b02050

(mu-cyano)-diaqua-heptacyano-bis[2-(1H-imidazol-2-yl)pyridine]-(propan-2-ol)-erbium-tungsten dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2061409: Experimental Crystal Structure Determination

2021

Related Article: Erkam Cebi, Jan Klett|2021|Chem.-Eur.J.|27|12693|doi:10.1002/chem.202100912

(mu-fluoro)-decakis(mu-2-methylpropan-2-olato)-undeca-sodiumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 929054: Experimental Crystal Structure Determination

2013

Related Article: Antti Riisiö, Ari Väisänen, and Reijo Sillanpää|2013|Inorg.Chem.|52|8591|doi:10.1021/ic400663y

(mu~2~-NNN'N'-tetrakis(5-t-Butyl-2-oxy-3-methylbenzyl)hexane-16-diaminium)-bis(nitrato)-tetraoxo-bis(propan-2-ol)-di-uraniumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Propan-2-ol dehydration on H-ZSM-5 and H-Y zeolite: a DFT study

2012

The catalytic dehydration of propan-2-ol over H-Y and H-ZMS-5 aluminated zeolite models, mimicking both internal cavities and external surfaces, was studied by DFT calculations to investigate the reaction mechanism. After the adsorption of propan-2-ol on the zeolite, the dehydration mechanism starts with alcohol protonation, occurring by one acidic –OH group of the zeolite fragment, followed by a concerted β-elimination to give propene. The catalytic activity is affected by the size of the zeolite cavity, which is larger in the H-Y than in the H-ZMS-5 zeolite. The adsorption energy of the reagent, as an example, decreases in the order: H-Y cavity ≃ H-ZMS-5 surface > H-ZMS-5 cavity, pointing…

Reaction mechanismChemistryDFT and MP2 calculationsPhotochemistryCatalysisReaction modelingCatalysisGibbs free energyPropenePropan-2-ol dehydrationsymbols.namesakechemistry.chemical_compoundAdsorptionSettore CHIM/03 - Chimica Generale E InorganicaReagentsymbolsPhysical and Theoretical ChemistryZSM-5ZeoliteConfinement effect
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CCDC 1522089: Experimental Crystal Structure Determination

2017

Related Article: Mikk Kaasik, Sandra Kaabel, Kadri Kriis, Ivar Järving, Riina Aav, Kari Rissanen, Tönis Kanger|2017|Chem.-Eur.J.|23|7337|doi:10.1002/chem.201700618

Space GroupCrystallography5-(35-bis(trifluoromethyl)phenyl)-4-iodo-1-methyl-3-(1-phenylethyl)-1H-123-triazol-3-ium tetrafluoroborate propan-2-ol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1858293: Experimental Crystal Structure Determination

2018

Related Article: Britta Glowacki, Roman Pallach, Michael Lutter, Fabian Roesler, Hazem Alnasr, Dieter Schollmeyer, Cederic Thomas, Klaus Jurkschat|2018|Chem.-Eur.J.|24|19266|doi:10.1002/chem.201803952

Space GroupCrystallographyCrystal System(11'-((4-fluorophenyl)azanediyl)bis(2-methylpropan-2-olato))-bis(t-butoxy)-tinCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2005218: Experimental Crystal Structure Determination

2020

Related Article: Xueer Zhou, Petra Vasko, Jamie Hicks, M. Ángeles Fuentes, Andreas Heilmann, Eugene L. Kolychev, Simon Aldridge|2020|Dalton Trans.|49|9495|doi:10.1039/D0DT01960G

Space GroupCrystallographyCrystal System(9H-carbazol-9-yl)-[N-{[2-(diphenylphosphanyl)phenyl]methyl}-26-bis(propan-2-yl)aniline]-germanium tetrakis[111333-hexafluoro-2-(trifluoromethyl)propan-2-olato]-aluminiumCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1567346: Experimental Crystal Structure Determination

2017

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Sergiu Shova, Francesc Lloret, and Miguel Julve|2017|Inorg.Chem.|56|12594|doi:10.1021/acs.inorgchem.7b02050

Space GroupCrystallographyCrystal System(mu-cyano)-diaqua-heptacyano-bis[2-(1H-imidazol-2-yl)pyridine]-(propan-2-ol)-gadolinium-tungsten dihydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 813690: Experimental Crystal Structure Determination

2012

Related Article: K.Salorinne, O.Lopez-Acevedo, E.Nauha, H.Hakkinen, M.Nissinen|2012|CrystEngComm|14|347|doi:10.1039/c1ce05737e

Space GroupCrystallographyCrystal System(mu2-281420-tetraethyl-4101622-tetramethoxy-612:1824-bis(369-trioxaundecane-111-dioxy)calix(4)arene)-bis(propan-2-ol)-di-silver(i) bis(hexafluorophosphate)Crystal StructureCell ParametersExperimental 3D Coordinates
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