TY - JOUR
T1 - Two interconvertible structures that explain the spectroscopic properties of the oxygen-evolving complex of photosystem II in the S 2 state
AU - Pantazis, Dimitrios A.
AU - Ames, William
AU - Cox, Nicholas
AU - Lubitz, Wolfgang
AU - Neese, Frank
PY - 2012/9/24
Y1 - 2012/9/24
N2 - Using models derived from the X-ray structure of photosystem II, it is shown that the oxygen evolving complex in the S 2 state exists in two energetically similar and interconvertible forms. A longstanding question regarding the spectroscopy of the catalyst is thus answered: one form corresponds to the multiline g=2.0 EPR signal (see picture, right; O red, Mn purple, Ca yellow), and the other to the g<4.1 signals (left).
AB - Using models derived from the X-ray structure of photosystem II, it is shown that the oxygen evolving complex in the S 2 state exists in two energetically similar and interconvertible forms. A longstanding question regarding the spectroscopy of the catalyst is thus answered: one form corresponds to the multiline g=2.0 EPR signal (see picture, right; O red, Mn purple, Ca yellow), and the other to the g<4.1 signals (left).
KW - EPR spectroscopy
KW - density functional calculations
KW - oxygen evolving complex
KW - photosystem II
KW - water splitting
UR - http://www.scopus.com/inward/record.url?scp=84866493175&partnerID=8YFLogxK
U2 - 10.1002/anie.201204705
DO - 10.1002/anie.201204705
M3 - Article
SN - 1433-7851
VL - 51
SP - 9935
EP - 9940
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 39
ER -