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Inorganic Chemistry
Volumn 47, Issue 3, 2008, Pages 760-762
Azatricarbaborane 7-t-Bu-arachno-7,1,5,12-NC3B8H 12 and parent tricarbaboranes nido-[5,6,9-C3B 7H10]- and -5,6,9-C3B 7H11
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EID: 39749088828     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic701568r     Document Type: Article
Times cited : (7)
References (8)
  • 6
    • 39749095889 scopus 로고    scopus 로고
    • 3 and 4: A solution of 1 (2 g, 16.3 mmol) in CH2Cl2 (200 mL) was treated with PS (10.7 g, 50 mmol) and t-BuNC (g, 100 mmol) under stirring and intensive cooling to 0°C. The stirring was continued for an additional 2 h at room temperature, and the mixture was treated with 10% aqueous HCl (50 mL) under shaking at 0°C. The organic (bottom) layer was separated, the volatile materials were evaporated, and the residual material was washed with hexane and then recrystallized from aqueous ethanol to give 2.35 g (70, of 3. The hexane washings were reduced in and mounted onto the top of a silica gel column (30 x 2.5 cm, and the column was eluted with hexane to collect the main fraction of Rf, ca. 0.1, from which 4 (67 mg, 2, was isolated by evaporation and crystallization from hexane. 4: mp 132 °C; 11B NMR (CDCl3, all doublets) δ 0.5 ca. 160, 2B, B3
    • +), 123 (100%).
  • 7
    • 39749145752 scopus 로고    scopus 로고
    • Geometry optimizations without symmetry restrictions first at RHF/6-31G*, in the final step including correlation energy at MP2, analytical frequencies, and magnetic property calculations were carried out with Gaussian 03 on a PC Fujitsu Siemens: Frisch, M. J, Trucks, 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, Bakken, V, 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
    • Geometry optimizations (without symmetry restrictions first at RHF/6-31G*, in the final step including correlation energy at MP2), analytical frequencies, and magnetic property calculations were carried out with Gaussian 03 on a PC Fujitsu Siemens: Frisch, M. J.; Trucks, 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.; Bakken, V.; 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 B.03; Gaussian, Inc.: Wallingford, CT, 2003.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.