Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 129, Issue 12, Pages 3480-+Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja068546u
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Funding
- NHLBI NIH HHS [R01 HL013531, R01 HL013531-35, HL13531] Funding Source: Medline
- NIGMS NIH HHS [F32 GM067349-03, GM067349, R01 GM031978, R01 GM059426, GM31978, F32 GM067349, R01 GM031978-24] Funding Source: Medline
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The first EPR study of the trisamidoamine complex, [Mo]N-2, where [Mo] = Mo(III)[HIPTN3N] and HIPT = [3,5-(2,4,6-i-Pr-3-C6H2)(2)C6H3NCH2CH2](3)N3-, reveals that this low-spin (S = 1/2) [d(3)] complex exhibits a E-2 state that undergoes a pseudo Jahn-Teller distortion in the adiabatic limit, modified by interactions with the solvent, and analysis gives approximate values of interaction energies. The experiments establish that [ Mo] N2 exhibits the low-spin [e(3)] electronic configuration, not [a(2)e(1)], with the a(z(2)) antibonding orbital substantially higher in energy than the e[xz, yz] orbitals.
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