A Sequential Electron-Transfer Relay in Diporphyrin–Porphyrin–Pyromellitimide Triads Analogous to That in the Photosynthetic Reaction Center
✍ Scribed by Prof. Atsuhiro Osuka; Dr. Satoshi Nakajima; Prof. Tadashi Okada; Seiji Taniguchi; Dr. Koichi Nozaki; Prof. Takeshi Ohno; Prof. Iwao Yamazaki; Dr. Yoshinobu Nishimura; Prof. Noboru Mataga
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 475 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
✦ Synopsis
Samples were prepared in [DJDMSO at concentrations of 30-40 mM. The resonance of [DJDMSO (6 = 2.49) was used as an internal standard. The one-dimensional spectra were collected with 32 K data points and with spectral widths of +3000 or k2000 Hz. The two-dimensional DQF COSY experiments were acquired with 2 K data points in the 1, domain and with 256 data points in the t , domain. The ROESY experiments were carried out with a mixing time of 150 ms and a spin lock field of 2.5 KHz, and with 2 K data points in the r, domain and 256 data points in the 1 , domain. Zero-fillings were applied in the r, domain.
Multiplication with phase-shifted sine function was employed in all spectra. Computer Simulations: All calculations were carried out on an Iris 40-25 and a Challenge L computer. The distance geometry program DGEOM was used to generate structures compatible with NOE constraints. Energy minimizations were carried out with the DISCOVER force field program. Distance-dependent dielectric constants were used for all calculations. Structures generated from DGEOM were minimized by the steepest descent algorithm for 100 steps followed by the VA09A algorithm until all the derivatives were smaller than 0.001 kcalmol-' kl.