Magnetic Circular Dichroism of Transition-Metal Complexes of Perfluorophenyl-N-Confused Porphyrins: Inverting Electronic Structure through a Proton
作者： Samantha Doble , Allen J. Osinski , Shelby M. Holland , Julia M. Fisher , G. Richard Geier
关键词:
摘要: Neutral and deprotonated anionic Ni(II), Pd(II), Cu(II), Cu(III) complexes of tetrakis(perfluorophenyl)-N-confused porphyrin (PF-NCP) were prepared investigated by UV–visible magnetic circular dichroism (MCD) spectroscopies. As in the previously reported Ni(II) adduct tetraphenyl N-confused porphyrin, we observe sign reverse (positive to negative intensities with increasing energy) features MCD spectra neutral Cu(II) PF-NCP, which is indicative rare ΔHOMO ΔLUMO condition. The PF-NCP complex shows similar those divalent metal systems. Spectroscopic all target as well published metal-free NCP systems correlated density functional theory (DFT) time-dependent DFT (TDD...
acs.org
sci-hub.se 参考文章(61)
Paul G. Seybold, Martin Gouterman, Porphyrins. XIII: Fluorescence spectra and quantum yields Journal of Molecular Spectroscopy. ,vol. 31, pp. 1- 13 ,(1969) , 10.1016/0022-2852(69)90335-X
Hiromitsu Maeda, Yuichi Ishikawa, Tomoyuki Matsuda, Atsuhiro Osuka, Hiroyuki Furuta, Control of Cu(II) and Cu(III) states in N-confused porphyrin by protonation/ deprotonation at the peripheral nitrogen Journal of the American Chemical Society. ,vol. 125, pp. 11822- 11823 ,(2003) , 10.1021/JA0356075
Emanuel Vogel, Matthias Köcher, Hans Schmickler, Johann Lex, Porphycene—a Novel Porphin Isomer Angewandte Chemie. ,vol. 25, pp. 257- 259 ,(1986) , 10.1002/ANIE.198602571
A. D. McLean, G. S. Chandler, Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 Journal of Chemical Physics. ,vol. 72, pp. 5639- 5648 ,(1980) , 10.1063/1.438980
Hiroyuki Furuta, Naoko Kubo, Hiromitsu Maeda, Tomoya Ishizuka, Atsuhiro Osuka, Hideki Nanami, Takuji Ogawa, N-confused double-decker porphyrins. Inorganic Chemistry. ,vol. 39, pp. 5424- 5425 ,(2000) , 10.1021/IC0010048
Hiroyuki Furuta, Tsutomu Asano, Takuji Ogawa, "N-Confused Porphyrin": A New Isomer of Tetraphenylporphyrin Journal of the American Chemical Society. ,vol. 116, pp. 767- 768 ,(1994) , 10.1021/JA00081A047
Jeffery P. Belair, Christopher J. Ziegler, Cheruvallil S. Rajesh, David A. Modarelli, Photophysical Characterization of Free-Base N-Confused Tetraphenylporphyrins Journal of Physical Chemistry A. ,vol. 106, pp. 6445- 6451 ,(2002) , 10.1021/JP025569W
Hiroyuki Furuta, Tomoya Ishizuka, Atsuhiro Osuka, Hirohisa Dejima, Hidenori Nakagawa, Yuichi Ishikawa, NH Tautomerism of N-Confused Porphyrin Journal of the American Chemical Society. ,vol. 123, pp. 6207- 6208 ,(2001) , 10.1021/JA010237A
Atsuya Muranaka, Shigetsugu Homma, Hiromitsu Maeda, Hiroyuki Furuta, Nagao Kobayashi, Detection of unusual ΔHOMO<ΔLUMO relationship in tetrapyrrolic cis- and trans-doubly N-confused porphyrins Chemical Physics Letters. ,vol. 460, pp. 495- 498 ,(2008) , 10.1016/J.CPLETT.2008.06.037
Christopher J. Ziegler, Jared R. Sabin, G. Richard Geier, Victor N. Nemykin, The first TDDFT and MCD studies of free base triarylcorroles: A closer look into solvent-dependent UV-visible absorption Chemical Communications. ,vol. 48, pp. 4743- 4745 ,(2012) , 10.1039/C2CC31146A