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. 2014 Jun 10;136(26):9453–9463. doi: 10.1021/ja504182n

Table 3. Breakdown of the t and e Reductions Found by Taking the Sum of the Löwdin d Populations for the QROsa.

compound t e average
FeF63– 270.3 (90.1%) 156.4 (78.2%) 426.7 (85.3%)
FeCl63– 264.8 (88.3%) 135.0 (67.5%) 399.8 (80.0%)
FeBr63– 263.7 (87.9%) 127.4 (63.7%) 391.1 (78.2%)
Fe(SAr)41– 183.2 (61.1%) 161.5 (80.8%) 344.7 (68.9%)
a

Values in parentheses are the average per d orbital.