Nonadiabatic transitions in photochemical electrocyclic reaction of acrylaldehyde to form 2H-oxete.
スポンサーリンク
概要
- 論文の詳細を見る
The photochemical electrocyclic reaction of <I>s</I>-<I>cis</I>-acrylaldehyde to form 2<I>H</I>-oxete was examined on the basis of the nonadiabatic interaction between potential energy surfaces. The nonadiabatic coupling <I>g</I> terms were calculated by the reduced classical-trajectory method along two postulated reaction paths, the concerted path and the step-by-step path. The calculated <I>g</I> terms were characteristic of the avoided crossing between the potential energy surfaces. The calculated g terms and the transition probabilities indicated that the step-by-step path was very efficient in the formation of 2<I>H</I>-oxete from the π–π<SUP>*</SUP> state of acrylaldehyde.
- 公益社団法人 日本化学会の論文
著者
-
Kikuchi Osamu
Department Of Anesthesia Kitano Hospital The Tazuke Kofukai Medical Research Institute
-
Kubota Hiroshi
Department Of Appl Ed Physics Sccond Faculty Of Engineering Tokyo Univ.
-
Morihashi Kenji
Department Of Chemistry University Of Tsukuba
-
Kikuchi Osamu
Department of Chemistry, The University of Tsukuba
-
Kubota Hiroshi
Department of Chemistry, The University of Tsukuba
関連論文
- Compositional Phase Separation in La_Ba_xCuO_y near the Optimum Composition for Superconductivity
- サンドイッチ構造のビス(フタロシアニナト)ランタニド錯体の電気化学及び分光電気化学による研究
- Functional demonstration of the ability of a primary spermatogonium as a stem cell by tracing a single cell destiny in Xenopus laevis
- Epicardial Pulmonary Vein Isolation by Cryoablation as Concomitant Cardiac Surgery to Treat Non-Valvular Atrial Fibrillation
- Redo Surgery of Thoracic Aortic Aneurysm
- Fluorescently Labeled Proteins as a Tool for Analyzing the Dynamics of Protein Quality Control in Living Cells
- Endothelium-Derived Hydrogen Peroxide Accounts for the Enhancing Effect of an ACE Inhibitor on EDHF-Mediated Responses in Mice(Endothelium/NO 2 (H), The 69th Annual Scientific Meeting of the Japanese Circulation Society)
- OE-305 Important Role of Superoxide Dismutase in EDHF-Mediated Relaxations of Human Mesenteric Arteries(Endothelium/NO 4 (H) : OE38)(Oral Presentation (English))
- OE-303 Hydorogen Peroxide Is an Endothelium-Derived Hyperpolaring Factor (EDHF) Involved in the Beneficial Effect of an ACE Inhibitorin Mice(Endothelium/NO 4 (H) : OE38)(Oral Presentation (English))
- FRS-079 Endothelial Cu,Zn-SOD Plays a Pivotal Role in Endothelium-Dependent Hyperpolarization in Mice(NO and Cardiovascular System (H) : FRS10)(Featured Research Session (English))
- Influence of Diabetes Mellitus, Hypercholesterolemia, or Their Combination on Endothelium-Derived Hyperpolarizing Factor (EDHF)-Mediated Relaxations in Mice
- Important Role of Cu/Zn-SOD in the Synthesis of Endothelium-Derived Hyperpolarizing Factor (EDHF) in Mice
- Emergent Operation for Aneurysm of the Left Main Coronary Artery Presenting Acute Myocardial Infarction
- Primary Osteosarcoma of the Lung : Report of a Case
- Involvement of Endothelial NO Synthase-Independent Mechanismin the Beneficial Effects of ACE Inhibitor on Coronary Endothelial Functions in Mice
- Compensatory Role of Neuronal NO Synthase in Maintaining Coronary Flow in the Absence of Endothelial NO Synthase in Mice
- Possible involvement of Cu/Zn-SOD in the synthesis of endothelium-derived hyperpolarizing factor (EDHF) in mice
- Hydrogen peroxide is an endothelium-derived hyperpolarizing factor (EDHF) in human mesenteric arteries
- Evidence for heterogeneity of the nature of endothelium-derived hyperpolarizing factors (EDHF) in porcine coronary arteries
- Comparison of continuous intraarterial blood gas analysis and transcutaneous monitoring to measure oxygen partial pressure during one-lung ventilation
- Singlet-Triplet Energy Gaps of Quinonoidal Dinitrenes
- ESR Study of Intramolecular Magnetic Interactions in Bis(nitrenophenyl) Sulfides
- ESR of Excited Quintet States in 3,3'-Dinitrenobenzophenone
- The Photolysis of 4,4'-Diazidobiphenyl in Rigid Matrices at Low-Temperature
- Expression and characterization of Xenopus type I collagen alpha 1 (COL1A1) during embryonic development
- Pseudoaneurysm Developed after Aortic Root Homograft Implantation
- Effects of Recombinant Human Erythropoietin Therapy on Blood Coagulation and Fibrinolysis System
- Electrophysiological Characteristics of Pulmonary Vein ; Measurement of Electrical Potential from Epicardium and Comparison with Atrial Muscle(Arrhythmia, Diagnosis/Pathophysiology/EPS 2 (A), The 69th Annual Scientific Meeting of the Japanese Circulation
- A New Composting Model and Assessment of Optimum Operation for Effective Drying of Composting Material
- Cardiac Function Evaluated by Transesophageal Echocardiography During Cardiopulmonary Bypass
- Hemoptysis from an Emphysematous Bulla Developing After Open-Heart Surgery: Repotr of a Case
- Surgical Treatment of Pulmonary Embolism with Recent Intracranial Hemorrhage
- POSTOPERATIVE DUODENAL STENOSIS AS AN EARLY COMPLICATION FOLLOWING LAPAROSCOPY-ASSISTED RESECTION OF TRANSVERSE COLON CANCER : REPORT OF SUCCESSFUL ENDOSCOPIC BALLOON DILATATION
- Activation of Xenopus Eggs by Cynops Sperm Extract is Dependent upon Both Extra-and Intra-Cellular Ca Activities
- Asymmetric Reduction of Ethyl Acetoacetate to Ethyl(R)-3-Hydroxybutyrate Coupled with Nitrate Reduction by Paracoccus denitrificans
- σ-Delocalized Hexakis(methylthio)benzene Dication: A Possible Intermediate of Pummerer-type Rearrangement of Monooxide of Hexakis(methylthio)benzene
- s-cis-(Z, Z) Structure of 1,2-Bis(2-pyridyl) ethylene Dianion in Solution
- Behavior of Triphenylethylene Dianion in Diethyl Ether Solution
- Lithium-Bridged Bis(silyl anion)of 9, 10-Dimethyl-9, 10-disilaanthracene
- New Method of Measuring Underlying Conductivity in Highly-Insulating Materials, with its Application to Nonlinear Conductivity of TTF-TCNQ
- Perfusion CT is superior to angiography in predicting pancreatic necrosis in patients with severe acute pancreatitis.
- The Influence of Aperture Exerting on the Legibility of Multiplexed Dot Matrix TN-LCD : Waves, Optics and Quantum Electronics
- Effects of C/N Ratio on Thermophilic Composting of Garbage
- RIGHT ATRIAL MYXOMA WITH RIGHT TO LEFT SHUNT AND CORONARY ARTERY DISEASE
- Reconstruction of the Small Intestine from the Dissociated Cells
- BaCuO_2 Single-Crystal Growth on Ceramic Substrate under Reducing Atmosphere
- Ab Initio Study of the Molecular Structure and NMR Carbon-Lithium Coupling Constant for Trichloromethyllithium
- Ab Initio MO Calculations of NMR ^N - ^Li Coupling Constants in Lithium Amide Monomers, Oligomers, and Mixed Aggregates with LiCl
- シアン化水素からプリン前駆体への前生物的合成に対するAblnitio GB研究: 溶液中におけるシアン化水素多量体の相対的エネルギー
- Roles of collagen fibers and its specific molecular chaperone : analysis using HSP47-knockout mice
- Charge-Sensitive Infrared Phototransistors Developed in the Wavelength Range of 10--50 μm
- Quality Control Against Misfolded Proteins in the Cytosol : A Network for Cell Survival
- On Sensitive Color.
- Identification of a 100 kDa Microtubule-Associated Protein from Xenopus Eggs
- A Cytoplasmic Factor Required for Contraction of the Cleavage Furrow in af Mutant Eggs of Xenopus laevis
- EXTRATHYMIC GENERATION AND ANTIGEN RECOGNITION OF IL3-INDUCED CD4^-CD8^-_αβT CELLS
- Surgical Repair for Atrial Septal Defect in Patients over 70 Years of Age
- Drift Mobilities of Photocarriers in Amorphous Hydrogenated GaP Made by Reactive Evaporation
- Successful Treatment of a Patient with Sepsis and Liver Abscess Caused by Edwardsiella tarda
- An ab initio molecular orbital study of pyridyl radicals.
- Photochemical electrocyclic reaction mechanism of methyleneamine N-oxide to form oxaziridine. MINDO/3 CI study.
- An MO theoretical study of the photochemical reaction of alkanenitronate anions to form hydroxamic acids.
- EFFECTIVE DIFFUSIVITY OF MULTI-COMPONENT GASEOUS REACTION SYSTEM:APPLICATION TO EVALUATE CATALYST EFFECTIVENESS FACTOR
- Surgical Treatment of Malignant Tumors of the Right Heart.
- MASS TRANSFER EFFECT ON THE SELECTIVITY OF GASLIQUID REACTIONS
- Nucleophilic substitution on 4-methylbenzyl thiocyanate with nucleophiles.
- PERFORMANCE OF A REACTION IN CATALYST-PACKED-FLUIDIZED BED
- AGE DISTRIBUTIONS OF SUSPENDED SOLID PARTICLES IN A BUBBLE COLUMN
- A molecular orbital study of conformational behavior of 9,9'-bifluorenylidene.
- A sudden-polarization model to predict excited state reactivity of .BETA.-t-butylstyrene.
- Nonadiabatic transitions in photochemical electrocyclic reaction of acrylaldehyde to form 2H-oxete.
- The Application of an MC-SCF Theory to Organic Chemical Reactions
- THE RATE OF EMULSION POLYMERIZATION OF ACRYLONITRILE
- KINETIC CONSIDERATION OF POLYMERIZATION WITH DEPOSITION OF POLYMER PARTICLES
- MINDO/3 prediction of the .PI. and .SIGMA. electronic states of the succinimido radical.
- Successfill Treatment of Tetralogy of Fallot with Pulmonary Atresia Using a Pulmonary Homograft.
- Solvent Effect on the ESR Parameters of Di-t-butyl Nitroxide and Galvinoxyl. Theoretical Application of the MNDO Effective Charge Model.
- The effect of configuration interaction on the .PI.-bond orders, and the molecular geometry of coronene in its ground state.
- An MO-theoretical study on the hydration of simple olefins.
- Parity-violating energy shift of glycine, alanine, and serine in the zwitterionic forms: Calculation using HFO-NG basis sets.
- Reaction paths of the photochemical electrocyclic reaction of acrylaldehyde. A possible path via a zwitterion.
- BUBBLES GENERATED FROM POROUS PLATE IN PURE LIQUID AND IN AQUEOUS SOLUTIONS OF INORGANIC ELECTROLYTES
- CONTINUOUS OPERATION OF EMULSION POLYMERIZATION OF STYRENE