Inorganic Chemistry
Article
MHz): δ 7.08−7.20 (m, 12H), 6.95−7.05 (m, 24H), 6.86−6.92 (m,
8H), 6.16−6.22 (m, 16H). MALDI-TOF: m/z calcd 1373.31, found
1373.75.
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Preparation of Mo2(NN)2(TiPB)2 (II). Mo2(TiPB)4 (0.20 g, 0.17
mmol, 1 equiv) was placed in a Schlenk flask and dissolved in 20 mL of
THF. Lithium N,N′-diphenylphenylpropiolamidinate solution (1.4
mL, 0.34 mmol, 2 equiv) was added dropwise. The orange solution
was then stirred at room temperature for 1 day. The solvent was then
removed in vacuo, the remaining solid was extracted with toluene, and
the extract was filtered. The filtrate was then dried and washed with
methanol to yield a yellow powder. NMR (CDCl3, 400 MHz): δ
7.15−7.30 (m, 24H), 7.06 (s, 4H), 7.00−7.08 (m, 6H), 3.35 (sep, 4H,
J = 6.8 Hz), 2.91 (sep, 2H, J = 6.9 Hz), 1.31 (d, 24H, J = 6.8 Hz), 1.26
(d, 12H, J = 6.9 Hz). MALDI-TOF: m/z calcd 1277.40, found
1278.40.
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ASSOCIATED CONTENT
* Supporting Information
■
S
The Supporting Information is available free of charge on the
Crystal structure refinement information for I and II,
NBO analysis, nanosecond TA spectra, and NMR and
MALDI-TOF mass spectra of I−III (PDF)
Crystallographic data for I and II (CIF)
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AUTHOR INFORMATION
Corresponding Author
(22) Stahl, J.; Bohling, J. C.; Bauer, E. B.; Peters, T. B.; Mohr, W.;
Martín-Alvarez, J. M.; Hampel, F.; Gladysz, J. A. Angew. Chem., Int. Ed.
2002, 41, 1871.
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(23) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.;
Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci,
B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H.
P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.;
Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima,
T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.;
Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin,
K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.;
Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega,
N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.;
Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.;
Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.;
Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.;
Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.;
Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09;
Gaussian, Inc., Wallingford, CT, 2009.
(24) Lu, T.; Chen, F. J. Comput. Chem. 2012, 33, 580−592.
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Present Addresses
†School of Chemistry, University of Nottingham, University
Park, Nottingham NG7 2RD, U.K.
‡Department of Chemistry, The College of Wooster, E.
University Street, Wooster, OH 44691, USA.
§Department of Macromolecular Science and Engineering,
Case Western Reserve University, 2080 Adelbert Road,
Cleveland, OH 44106, USA.
Notes
The authors declare no competing financial interest.
ACKNOWLEDGMENTS
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We thank the National Science Foundation for the funding
associated with grant numbers CHE-0957191 and CHE-
1266298. We are grateful to the Ohio State University Center
for Chemical and Biophysical Dynamics for use of the laser
systems, the Ohio Supercomputer Center for computational
resources, Dr. Judith Gallucci for help with X-ray crystallog-
raphy, and Professor Claudia Turro for use of instrumentation.
(27) Brown-Xu, S. E.; Chisholm, M. H.; Durr, C. B.; Lewis, S. A.;
Spilker, T. F.; Young, P. J. Inorg. Chem. 2014, 53, 637−644.
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Chem. 2002, 41, 1639−1644.
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