Methyl bacteriopheophorbide

Facelli, J. C., 1998, Density Functional Theory Calculations of the Structure and the l5N and l3C Chemical Shifts of Methyl Bacteriopheophorbide a and Bacteriochlorophyll a , J. Phys. Chem. B, 102, 2111. 

Fig. 2.136. Molecular structures of (a) naturally occurring magnesium chlorin, bacteriochlorophylls-d (Bchls-d), (b) their synthetic analogues, methyl bacteriopheophorbides-d (MBPhes-d, and (c) 3 -epimeric zinc complexes (Zn-MBPhes-d). Reprinted with permission from S. Sasaki et al. [307],...

K. M. Smith, G. M. F. Bisset and M. J. Bushell, Partial syntheses of optically pure methyl bacteriopheophorbides-c and -d ftom methyl-phaeophorbide-a, y. Org. Chem. 45,2218 (1980). 

To conclude the discussion of exciton theory, we present a brief account of the application of PCM-based exiton methods to studies of spectral shifts in bacteriochlorin (BC) dimers [57, 66]. This work was motivated by earlier exciton studies of a model methyl bacteriopheophorbide a (Me-BPheo-a) dimer reported by Scherz and Parson [67]. Using the point-dipole model to approximate monomeric charge and transition densities [54-56], they obtained a large (1330 cm" ) red shift of the band in a dimer whose geometry was defined as a translation of one monomer relative to the other by Ax = 0.5 A, Ay = 3.5 A, and Az = 3.6 A along the axes in Fig. 4. 

Tamiaki, H., Tomida, T, and Miyatake, T., Synthesis of methyl bacteriopheophorbide-d with 8-propyl group, Bioorg. Med. Chem. Lett., 7, 1415, 1997. 

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