Unexpected deformations induced by surface interaction and chiral self-assembly of CoII-tetraphenylporphyrin (Co-TPP) adsorbed on Cu(110): A combined STM and periodic DFT study

Chemistry - A European Journal

Volumn 16, Issue 38, 2010, Pages 11641-11652

  Donovan, Philip ^a   Robin, Abel ^a   Dyer, Matthew S ^a   Persson, Mats ^a,b   Raval, Rasmita ^a  

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

Chirality; Density functional calculations; Porphyrinoids; Scanning probe microscopy; Self assembly

Indexed keywords

ADSORBED MOLECULES; ADSORPTION SITE; BRIDGE SITES; CHEMICAL INTERACTIONS; CONFORMATIONAL CHANGE; CORRECTION SCHEMES; CU(1 1 0); DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; ELECTRONIC EFFECTS; ENERGY COST; GAS PHASE MOLECULES; HIGH COSTS; MACROCYCLES; MOLECULAR CORE; MOLECULE SURFACE; NONSYMMETRIC; ORDERED STRUCTURES; ORGANIC ASSEMBLIES; PERIODIC DENSITY FUNCTIONAL THEORY; PERIODIC DFT; PHENYL GROUP; PORPHYRIN MACROCYCLE; PORPHYRINOIDS; SCANNING TUNNELLING MICROSCOPY; STM IMAGES; SUBSTANTIAL ENERGY; SUPRAMOLECULAR ASSEMBLIES; SURFACE DEFORMATION; SURFACE INTERACTIONS; TETRAPHENYL PORPHYRINS; VAN DER WAALS;

ADSORPTION; CHIRALITY; CONFORMATIONS; DEFORMATION; ENANTIOMERS; MOLECULES; PORPHYRINS; PROBES; SCANNING; SCANNING PROBE MICROSCOPY; SCANNING TUNNELING MICROSCOPY; SELF ASSEMBLY; STEREOCHEMISTRY; SULFUR COMPOUNDS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 77957605961     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201001776     Document Type: Article

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