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Theoretical Rationalization of Structure of Transannular Bonded Germanium Complexes Containing Amide Functionality
Corresponding Author(s) : Raji Thomas
Asian Journal of Chemistry,
Vol. 32 No. 5 (2020): Vol 32 Issue 5
Abstract
Penta and tetra coordinated germanium complexes have been synthesized from N,N’-bis(2-pyridyl)pyridine-2,6-dicarboxamide (H2L) and N-(pyridine-2-yl)picolinamide (HL1) with dialkyl/aryl and trialkyl/aryl germanium halides in 1:1 molar ratios. The molecular structures and electronic properties of complexes were well analyzed by GAUSSIAN 03 suit of programs. The transannular bonding observed in penta coordinated complexes have been well established by natural bond orbital, Wiberg bond index and molecular electrostatic potential analysis.
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References
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D.S. Marlin and P.K. Mascharak, Chem. Soc. Rev., 29, 69 (2000); https://doi.org/10.1039/a905282h
D.A. Conlon and N. Yasuda, Adv. Synth. Catal., 343, 137 (2001); https://doi.org/10.1002/1615-4169(20010129)343:1<137::AIDADSC137>3.0.CO;2-V
B.M. Trost and I. Hachiya, J. Am. Chem. Soc., 120, 1104 (1998); https://doi.org/10.1021/ja973298a
S.R. Collinson, J.H.R. Tucker, T. Gelbrich and M.B. Hursthouse, Chem. Commun., 555 (2001); https://doi.org/10.1039/b009820p
I. Huc, M.J. Krische, D.P. Funeriu and J.M. Lehn, Eur. J. Inorg. Chem., 1999, 1415 (1999); https://doi.org/10.1002/(SICI)1099-0682(199909)1999:9<1415::AIDEJIC1415>3.0.CO;2-Y
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T. Thompson, S.D. Pastor and G. Rihs, Inorg. Chem., 38, 4163 (1999); https://doi.org/10.1021/ic990460x
S.D. Pastor, A.R. Smith and G. Rims, Phosphorus Sulfur Silicon Rel. Elem., 115, 169 (1996); https://doi.org/10.1080/10426509608037964
R. Thomas, N. Joseph P, P. Pardasani and T. Mukherjee, Heteroatom Chem., 23, 545 (2012); https://doi.org/10.1002/hc.21048
P. Pardasani and D. Kumar, Main Group Met. Chem., 27, 233 (2004); https://doi.org/10.1515/MGMC.2004.27.4.233
M. Sharma and P. Pardasani, Main Group Met. Chem., 31, 227 (2008); https://doi.org/10.1515/MGMC.2008.31.5.227
M. Sharma, S. Jangir, C.K. Ojha and P. Pardasani, Main Group Met. Chem., 28, 193 (2005); https://doi.org/10.1515/MGMC.2005.28.4.193
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski and D.J. Fox, Gaussian Inc., Wallingford CT, Gaussian 09, Revision D.01 (2009).
W.L.F. Armarego and D.D. Perrin, Purification of Laboratory Chemicals, Butterworth: Oxford, edn 4 (1997).
A.I. Vogel, Textbook of Quantitative Chemical Analysis, Longman: London, edn 4 (1989).
Z.X. Chen, J.M. Xiao, H.M. Xiao and Y.N. Chiu, J. Phys. Chem. A, 103, 8062 (1999); https://doi.org/10.1021/jp9903209
N.J. Mayhall, K. Raghavachari, P.C. Redfern and L.A. Curtiss, J. Phys. Chem. A, 113, 5170 (2009); https://doi.org/10.1021/jp809179q
B.M. Rode, eds.: B. Pullman and N. Goldblum, The Investigation of Metal-Amide Interactions with the Aid of Quantum Chemical Model Calculations and Corresponding Model Experiments; In: Metal-Ligand Interactions in Organic Chemistry and Biochemistry, The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 9-1. Springer: Dordrecht (1977).