Density functional theory investigation of the effect of axial coordination and annelation on the absorption spectroscopy of nickel(II) and vanadyl porphyrins relevant to bitumen and crude oils

Canadian Journal of Chemistry

Volumn 91, Issue 9, 2013, Pages 872-878

  Stoyanov, Stanislav R ^a   Yin, Cindy Xing ^b   Gray, Murray R ^b   Stryker, Jeffrey M ^b   Gusarov, Sergey ^a   Kovalenko, Andriy ^a,b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

Author keywords

Annelation; Axial coordination; Bitumen; Metalloporphyrin; Soret band shift; Time dependent density functional theory

Indexed keywords

ANNELATION; AXIAL COORDINATION; BITUMEN; METALLOPORPHYRINS; SORET BANDS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ASPHALTENES; BITUMINOUS MATERIALS; CONTINUUM MECHANICS; CRUDE OIL; DENSITY FUNCTIONAL THEORY; HEAVY OIL PRODUCTION; NICKEL; ULTRAVIOLET SPECTROSCOPY;

PORPHYRINS;

EID: 84884696662     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/cjc-2012-0532     Document Type: Article

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