Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Models of photosynthetic chromophores. Molecular structure of the bacteriochlorin (2,3,12,13-tetrahydro-5,10,15,20-tetraphenylporphinato)(pyridine)zinc(II)

Journal Article · · Inorganic Chemistry; (United States)
DOI:https://doi.org/10.1021/ic00009a052· OSTI ID:6244794
; ; ;  [1]
  1. Brookhaven National Lab., Upton, NY (United States)
Three high-precision structures of bacteriochlorophyll (BChl) have been reported previously; a free base, a nickel synthetic derivative, and methyl bacteriopheophoride, derived from bacteriopheophytin pigment found in reaction centers. An x-ray determination of the structure of the bacteriochlorin (2,3,12,13-tetrahydro-5,10,15,20-tetraphenylporphinato)(pyridine)zinc(II) is reported herein. The present results allow an assessment of the structural changes resulting from the progressive saturation of the pyridine molecule. The new structural data were used to test the validity of the INDO/S semiempirical model in predicting spectral properties of the bacteriochlorins. 2 refs., 4 figs., 3 tabs.
DOE Contract Number:
AC02-76CH00016
OSTI ID:
6244794
Journal Information:
Inorganic Chemistry; (United States), Journal Name: Inorganic Chemistry; (United States) Vol. 30:9; ISSN 0020-1669; ISSN INOCA
Country of Publication:
United States
Language:
English