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Volumn 47, Issue 10, 2008, Pages 4401-4412

Isostructural potassium and thallium salts of sterically crowded triazenes: A structural and computational study

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EID: 44349138216     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic800029z     Document Type: Article
Times cited : (45)

References (90)
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    • 6) = 9.775 Å].
    • 6) = 9.775 Å].
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    • 4. The halides MX (X = Cl, Br, I) crystallize in the rock salt (most stable for M = K) and cesium chloride (most stable for M = Tl) structure. In addition, TlF and yellow TlI adopt distorted forms of the sodium chloride structure. See Wells, A. F. Structural Inorganic Chemistry, 5th ed.; Clarendon Press: Oxford, 1984.
    • 4. The halides MX (X = Cl, Br, I) crystallize in the rock salt (most stable for M = K) and cesium chloride (most stable for M = Tl) structure. In addition, TlF and yellow TlI adopt distorted forms of the sodium chloride structure. See Wells, A. F. Structural Inorganic Chemistry, 5th ed.; Clarendon Press: Oxford, 1984.
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    • For selected recent examples of Tl(I) compounds with thallophilic interactions and further cited literature, see Uhl, W.; Keimling, S. U.; Klinkhammer, K. W.; Schwarz, W. Angew. Chem., Int. Ed.Engl. 1997, 36, 64. (Tl alkyl).
    • (a) For selected recent examples of Tl(I) compounds with thallophilic interactions and further cited literature, see Uhl, W.; Keimling, S. U.; Klinkhammer, K. W.; Schwarz, W. Angew. Chem., Int. Ed.Engl. 1997, 36, 64. (Tl alkyl).
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    • 2] (M = Li, K, Cs) see: (a) Lee, H. S.; Niemeyer, M. Inorg. Chem. 2006, 45, 6126.
    • 2] (M = Li, K, Cs) see: (a) Lee, H. S.; Niemeyer, M. Inorg. Chem. 2006, 45, 6126.
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    • Frisch, M. J.; Tracks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision D.01; Gaussian, Inc.: Pittsburgh, PA, 2003.
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    • For other compounds that show interactions between potassium cations and arene rings of Trip substituents, see the following references. Herein, the K⋯centroid distances fall in the range 2.74-3.19 Å. Grisby, W. J.; Power, P. P. J. Am. Chem. Soc. 1996, 118, 7981.
    • (a) For other compounds that show interactions between potassium cations and arene rings of Trip substituents, see the following references. Herein, the K⋯centroid distances fall in the range 2.74-3.19 Å. Grisby, W. J.; Power, P. P. J. Am. Chem. Soc. 1996, 118, 7981.
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    • Cambridge Structural Database, London, U.K., 2007. For the search, the range of the Tl⋯centroid-C angles was constrained to 85°-95°, assuming only small ring slippage. For a larger ring slippage, there appears to be no upper limit to the Tl⋯centroid distances.
    • Cambridge Structural Database, London, U.K., 2007. For the search, the range of the Tl⋯centroid-C angles was constrained to 85°-95°, assuming only small ring slippage. For a larger ring slippage, there appears to be no upper limit to the Tl⋯centroid distances.
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    • For the B3LYP and MPW1PW91 calculations, the addition of diffuse functions leads to even larger relative errors.
    • For the B3LYP and MPW1PW91 calculations, the addition of diffuse functions leads to even larger relative errors.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.