메뉴 건너뛰기




Volumn 27, Issue 3, 2008, Pages 923-932

Oxorhenium(V) complexes with 2-(1-H-pyrazol-3-yl)phenolato ligand. X-ray structures of [ReOCl2(C9H7N2O)(PPh 3)] · MeCN and [ReOX2(C9H7N2O)(AsPh 3)] · MeCN (X = Cl, Br) complexes.

Author keywords

2 (1 H pyrazol 3 yl)phenolato ligand; DFT calculations; NBO analysis; Rhenium oxo complexes; X ray and electronic structure

Indexed keywords

ACETONE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXCITED STATES; GROUND STATE; RHENIUM COMPOUNDS; ULTRAVIOLET VISIBLE SPECTROSCOPY;

EID: 39149085027     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2007.11.024     Document Type: Article
Times cited : (12)

References (44)
  • 24
    • 85169516711 scopus 로고    scopus 로고
    • STOE & Cie, x-red, Version 1.18, STOE & Cie GmbH, Darmstadt, Germany, 1999.
    • STOE & Cie, x-red, Version 1.18, STOE & Cie GmbH, Darmstadt, Germany, 1999.
  • 27
    • 85169514954 scopus 로고    scopus 로고
    • G.M. Sheldrick, shelxtl: Release 4.1 for Siemens Crystallographic Research Systems, 1990.
    • G.M. Sheldrick, shelxtl: Release 4.1 for Siemens Crystallographic Research Systems, 1990.
  • 30
    • 85169523246 scopus 로고    scopus 로고
    • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
  • 35
    • 0003849463 scopus 로고    scopus 로고
    • Seminario J.M. (Ed), Elsevier, Amsterdam
    • Casida M.E. In: Seminario J.M. (Ed). Recent Developments and Applications in Modern Density Functional Theory. Theoretical and Computational Chemistry vol. 4 (1996), Elsevier, Amsterdam
    • (1996) Theoretical and Computational Chemistry , vol.4
    • Casida, M.E.1
  • 36
    • 85169531305 scopus 로고    scopus 로고
    • E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO (Version 3.1), A.E. Reed, L.A. Curtiss, F. Weinhold, Chem. Rev. 88 (1988) 899.
    • E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO (Version 3.1), A.E. Reed, L.A. Curtiss, F. Weinhold, Chem. Rev. 88 (1988) 899.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.