Axial ligand effects on vibrational dynamics of iron in heme carbonyl studied by nuclear resonance vibrational spectroscopy

Journal of Physical Chemistry B

Volumn 116, Issue 47, 2012, Pages 13831-13838

  Ohta, Takehiro ^a,b   Liu, Jin Gang ^a,c   Saito, Makina ^d,g   Kobayashi, Yasuhiro ^b,d   Yoda, Yoshitaka ^b,f   Seto, Makoto ^b,d,e   Naruta, Yoshinori ^a,b  

^a KYUSHU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^d KYOTO UNIVERSITY   (Japan)

^e JAPAN ATOMIC ENERGY AGENCY   (Japan)

^f JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

^g SINCROTRONE TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOM DISPLACEMENTS; ATOM MOTION; AXIAL LIGAND; AXIAL LIGATION; BENDING MODES; BIOLOGICAL FUNCTIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DIATOMIC GAS; FORCE CONSTANTS; IN-PLANE MOTION; MOLECULAR MECHANISM; NUCLEAR RESONANCE VIBRATIONAL SPECTROSCOPY; ORBITAL ENERGY; OUT OF PHASE; OUT-OF-PLANE; PROMINENT FEATURES; PYRROLE RING; VIBRATIONAL DENSITY OF STATE; VIBRATIONAL DYNAMICS; VIBRATIONAL ENERGIES;

AROMATIC COMPOUNDS; DENSITY FUNCTIONAL THEORY; DYNAMICS; IRON; LIGANDS; MOLECULES; O RINGS; PORPHYRINS; VIBRATIONAL SPECTROSCOPY;

IRON COMPOUNDS;

HEME; IRON; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; QUANTUM THEORY; SPECTROSCOPY; VIBRATION;

HEME; IRON; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTRUM ANALYSIS; VIBRATION;

EID: 84870353941     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp304398g     Document Type: Article

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