Geometrical Structures of Excited States of Conjugated Molecules. II. The Calculated Vibronic Intensity Distributions in the Absorption Spectra of Naphthalene
スポンサーリンク
概要
- 論文の詳細を見る
The normal coordinates and the vibrational frequencies in the first excited singlet (<SUP>1</SUP>B<SUB>2u</SUB>), the second excited singlet (<SUP>3</SUP>B<SUB>1u</SUB>), and the first excited triplet (<SUP>3</SUP>B<SUB>1u</SUB>) states of naphthalene, whose geometries were calculated by a semiempirical method, are evaluated by assuming a simplified valence force field. The relation between the normal coordinates of two different electronic states is expressed on the basis of the Franck-Condon principle. The mixing among the excited-state normal coordinates, expressed in terms of the ground-state normal coordinates, is neglected in the present treatment. By using the simple relation between the normal coordinates of two different electronic states, the vibronic intensity distributions in the absorption spectra (<SUP>1</SUP>B<SUB>2u</SUB>←<SUP>1</SUP>A<SUB>g</SUB>, <SUP>1</SUP>L<SUB>b</SUB>, <SUP>1</SUP>B<SUB>1u</SUB>←<SUP>1</SUP>A<SUB>g</SUB>, <SUP>3</SUP>L<SUB>a</SUB>, and <SUP>3</SUP>B<SUB>1u</SUB>←<SUP>1</SUP>A<SUB>g</SUB>,<SUP>3</SUP>L<SUB>a</SUB>) have been calculated. The vibronic intensity distribution of the <SUP>1</SUP>B<SUB>2u</SUB>←<SUP>1</SUP>A<SUB>g</SUB> transition has been calculated, taking into consideration the intensity of the interpenetrating sets of the vibronic band groups on the basis of the Herzberg-Teller perturbation theory.
- 公益社団法人 日本化学会の論文
著者
-
Fujimura Yuichi
Department Of Chemistry Graduate School Of Science Tohoku University
-
Nakajima Takeshi
Department of Chemistry Faculty of Science Tohoku University
-
Fujimura Yuichi
Department of Chemistry, Tohoku University
-
Onda Masamune
Department of Chemistry, Tohoku University
関連論文
- Acute exacerbation of subclinical idiopathic pulmonary fibrosis triggered by hypofractionated stereotactic body radiotherapy in a patient with primary lung cancer and slightly focal honeycombing
- Hyperconjugative Electron-Delocalization Mechanism Controlling the Conformational Preference of Fluoroacetaldehyde and Methyl Fluoroacetate
- Strain Enhanced Precipitate Coarsening during Creep of a Commercial Magnesium Alloy AZ80
- Chain Motions of Alternating Ethylene/Propylene Copolymers Studied by Solid-State ^2H NMR
- Differential Diagnosis Between Radiation Necrosis and Glioma Progression Using Sequential Proton Magnetic Resonance Spectroscopy and Methionine Positron Emission Tomography
- Strain Enhanced Growth of Precipitates during Creep of T91
- In vitro and in vivo evidence of pathogenic roles of Hic-5/ARA55 in keloids through Smad pathway and profibrotic transcription
- Fexofenadine hydrochloride enhances the efficacy of contact immunotherapy for extensive alopecia areata : Retrospective analysis of 121 cases
- Scale dermoscopy of androgenetic alopecia in Asian people
- Two cases of alopecia areata responsive to fexofenadine
- Dry dermoscopy in clinical treatment of alopecia areata
- Two cases of pressure ulcer healing after liver transplantation in cirrhosis patients
- Potential anti-androgenic activity of roxithromycin in skin
- Pigmented contact dermatitis due to therapeutic sensitizer as complication of contact immunotherapy in alopecia areata
- Quantum Control of Molecular Reaction Dynamics by Laser Pulses : Development of Theory and Its Application
- Quantum Control the Photodissociation of Sodium Iodide
- Theoretical Investigation on Silicon-Nitride Film Growth: Statistical Approach
- Venous insufficiency in patients with necrobiosis lipoidica
- COMPARISON OF MAGNIFYING CHROMOENDOSCOPY AND NARROW-BAND IMAGING IN ESTIMATION OF EARLY COLORECTAL CANCER INVASION DEPTH : A PILOT STUDY
- Drug allergy caused by sparfloxacin : Photosensitive dermatitis associated with delayed hypersensitivity unrelated to ultraviolet light
- A25-124 INDIRECT MEASUREMENT OF SLIP-VELOCITY BETWEEN SOLID WALL AND GAS FLOW AT HIGH KNUDSEN NUMBERS
- Narrow-band red LED light promotes mouse hair growth through paracrine growth factors from dermal papilla
- Mechanism of resonant two-photon transitions via repulsive intermediate states. Experimental and theoretical studies on I2 vapor.
- Calculation of the Nonradiative Transition Rate for the 1B1u→1B2u Transition in Benzene
- Self aggregation of cationic porphyrin in water.
- A theoretical study of the resonance raman scattering from a molecular system. Effects of vibronic and nonadiabatic couplings.
- Symmetry Rule for Predicting Bond Distortions in Conjugated Hydrocarbons
- Magnetic Properties of Nonbenzenoid Aromatic Hydrocarbons
- The Role of the Promoting Mode in Nonradiative Transitions in Large Molecules
- Bond Distortions and Related Phenomena in Peri-Condensed Tetracyclic Nonbenzenoid Aromatic Hydrocarbons
- Geometrical Structures of Excited States of Conjugated Molecules: Benzene, Naphthalene, Azulene, and Heptalene
- CNDO/2 Calculations of the Ionization Potentials and Electronic Spectra of Some Unsaturated Hydrocarbons
- Geometrical Structures of Excited States of Conjugated Molecules. II. The Calculated Vibronic Intensity Distributions in the Absorption Spectra of Naphthalene
- Molecular-symmetry Reduction in CmHm−2 Cata-condensed Nonalternant Hydrocarbons
- CNDO/2 calculations of ionization potentials of some fouorosubstituted conjugated hydrocarbons.
- Electronic Structures and Spectra of Quinarene Molecules
- CNDO Calculations on the Electronic Spectra of Several Saturated Compounds
- Electronic Structures and Spectra of Non-benzenoid Hydrocarbons: Fulvene, Heptafulvene, Fulvalene, Heptafulvalene and Sesquifulvalene