Facile synthesis and nonlinear optical properties of push-pull 5,15 -diphenylporphyrins

Journal of Organic Chemistry

Volumn 63, Issue 21, 1998, Pages 7143-7150

  Yeung, Ming ^a   Ng, Anthony C H ^a   Drew, Michael G B ^b   Vorpagel, Erich ^c   Breitung, Eric M ^d   McMahon, Robert J ^d   Ng, Dennis K P ^a  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

^b UNIVERSITY OF READING   (United Kingdom)

^c ACCELRYS INC   (United States)

^d UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000599217     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo971597c     Document Type: Article

References (67)

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54. Geometry optimizations for 7, 8, 7(Zn), and 8(Zn) were performed with the ESFF molecular mechanics force field, as implemented in the Insightll program (Version 95.0, Biosym/MSI, San Diego CA, 1995). Geometry optimizations for 7(Zn) and 8(Zn) were also performed using the AMI semiempirical method, as implemented in MOPAC [version 6.0, Quantum Chemistry Program Exchange (QCPE # 455), Department of Chemistry, Indiana University, Bloomington, Indiana]. The computed geometries obtained for 7(Zn) and 8(Zn) by both methods display good agreement.
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67. The authors have deposited atomic coordinates for 8 and 21 with the Cambridge Crystallographic Data Centre. The coordinates can be obtained, on request, from the Director, Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK.