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Density functional theory studies of N-protonation of the free base phthalocyanine

https://doi.org/10.1016/j.theochem.2008.03.027

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adma.19940061103openalex-snapshot

Conducting Stacked Metallophthalocyanines and Related Compounds

inferredcites →https://doi.org/10.1002/qua.1112openalex-snapshot

Comparative studies on the structures, infrared spectrum, and thermodynamic properties of phthalocyanine using ab initio Hartree–Fock and density functional theory methods

inferredcites →https://doi.org/10.1002/qua.20500openalex-snapshot

DFT investigation of sites of protonation of antitumor of 2‐(4‐aminophenyl)benzazoles in the gas phase and in solution

inferredcites →https://doi.org/10.1016/0003-2670(95)90237-6openalex-snapshot

Phthalocyanines. properties and applications

inferredcites →https://doi.org/10.1016/0009-2614(85)85127-7openalex-snapshot

Photochemical hole-burning in a protonated phthalocyanine with GaAlAs diode lasers

inferredcites →https://doi.org/10.1016/0009-2614(96)00435-6openalex-snapshot

Molecular electronic properties of fused rigid porphyrin-oligomer molecular wires

inferredcites →https://doi.org/10.1016/0022-2852(70)90040-8openalex-snapshot

Porphyrins

inferredcites →https://doi.org/10.1016/j.cplett.2003.08.065openalex-snapshot

Density functional theory investigations of geometries and electronic spectra of lithium phthalocyanines

inferredcites →https://doi.org/10.1016/j.cplett.2004.03.123openalex-snapshot

Quantum-chemical and experimental kinetical investigation of the porphyrin diacids: role of the counterions in non-radiative deactivation of the excited electronic states

inferredcites →https://doi.org/10.1016/j.vibspec.2005.03.004openalex-snapshot

Theoretical studies on molecular structure and vibrational spectra of copper phthalocyanine

inferredcites →https://doi.org/10.1016/s0009-2614(00)01289-6openalex-snapshot

Theoretical studies on the structural change in the N-protonated meso-tetrakis(p-sulfonatophenyl)porphyrin

inferredcites →https://doi.org/10.1016/s0010-8545(96)01251-9openalex-snapshot

Azaanalogs of phthalocyanine: syntheses and properties

inferredcites →https://doi.org/10.1016/s0020-1693(00)90175-0openalex-snapshot

Acid-base behaviour of phthalocyanine

inferredcites →https://doi.org/10.1016/s0166-1280(02)00302-0openalex-snapshot

A density functional theory study on the structure and properties of the tert-butyl substituted phthalocyanines

inferredcites →https://doi.org/10.1016/s0166-1280(98)00238-3openalex-snapshot

Calculation of the structure and absorption spectra of phthalocyanines in the gas-phase and in solution

inferredcites →https://doi.org/10.1016/s0277-5387(02)01226-3openalex-snapshot

Synthesis, electrochemical and photochemical properties of unsymmetrically substituted zinc phthalocyanine complexes

inferredcites →https://doi.org/10.1016/s0301-0104(03)00088-0openalex-snapshot

Density functional theory investigation of porphyrin diacid: electronic absorption spectrum and conformational inversion

inferredcites →https://doi.org/10.1021/cr00088a005openalex-snapshot

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

inferredcites →https://doi.org/10.1021/ic0401039openalex-snapshot

DFT Study of Unligated and Ligated ManganeseII Porphyrins and Phthalocyanines

inferredcites →https://doi.org/10.1021/ic50210a057openalex-snapshot

Evidence for the existence of the phthalocyanine dianion: the demetalation of dilithium phthalocyanine

inferredcites →https://doi.org/10.1021/ja00251a012openalex-snapshot

A new series of molecular semiconductors: phthalocyanine radicals

inferredcites →https://doi.org/10.1021/ja00544a007openalex-snapshot

Natural hybrid orbitals

inferredcites →https://doi.org/10.1021/ja01013a001openalex-snapshot

The molecular and crystal structure of porphyrin diacids

inferredcites →https://doi.org/10.1021/ja01081a044openalex-snapshot

On the Optical Absorptions of Phthalocyanines

inferredcites →https://doi.org/10.1021/jp010130+openalex-snapshot

Electrochemical Preparation and EPR Studies of Lithium Phthalocyanine. 3. Measurements of Oxygen Concentration in Tissues and Biochemical Reactions

inferredcites →https://doi.org/10.1021/jp0347320openalex-snapshot

Ab Initio Comparative Study of the Structure and Properties of H2-Porphin and H2-Phthalocyanine. The Electronic Absorption Spectra

inferredcites →https://doi.org/10.1021/jp990342vopenalex-snapshot

Patterned Growth and Contact Transfer of Well-Aligned Carbon Nanotube Films

inferredcites →https://doi.org/10.1021/om00063a904openalex-snapshot

Coordination Compounds of Porphyrins and Phthalocyanines

inferredcites →https://doi.org/10.1039/b005091lopenalex-snapshot

IR and Raman assignments for zinc phthalocyanine from DFT calculations

inferredcites →https://doi.org/10.1063/1.2212404openalex-snapshot

The electronic structure of iron phthalocyanine probed by photoelectron and x-ray absorption spectroscopies and density functional theory calculations

inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot

Density-functional thermochemistry. III. The role of exact exchange

inferredcites →https://doi.org/10.1074/jbc.270.22.13118openalex-snapshot

Novel Ligand Binding Properties of the Myoglobin Substituted with Monoazahemin

inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

inferredcites →https://doi.org/10.1246/bcsj.66.1016openalex-snapshot

Solvent Effects on Electronic States of Phthalocyanines

inferredcites →https://doi.org/10.3866/pku.whxb19960303openalex-snapshot

Effects of Protonation and Deprotonation on Phthalocyanine's Spectra

inferredcites →https://doi.org/10.3866/pku.whxb20030208openalex-snapshot

Calculation of Ground and Excited States of Free Base Phthalocyanine

inferredcites →https://doi.org/10.3866/pku.whxb20030615openalex-snapshot

A Theoretical Calculation of the Vibrational Spectra of p-xylene and Its Cation

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4725194openalex-extracted

A Meso-Protonated Iridium(Iii) Α-Octabutoxyphthalocyanine for Enhanced Near-Infrared Driven the Generation of Singlet Oxygen and Photothermal Property

inferred← citeshttps://doi.org/10.1002/ange.201006607openalex-snapshot

Crystal Structures and Electronic Properties of Saddle‐Distorted and Protonated Phthalocyanines

inferred← citeshttps://doi.org/10.1002/anie.201006607openalex-snapshot

Crystal Structures and Electronic Properties of Saddle‐Distorted and Protonated Phthalocyanines

inferred← citeshttps://doi.org/10.1016/j.ccr.2012.01.011openalex-snapshot

Structures and photoinduced electron transfer of protonated complexes of porphyrins and metallophthalocyanines

inferred← citeshttps://doi.org/10.1016/j.cplett.2014.01.047openalex-snapshot

Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrum

inferred← citeshttps://doi.org/10.1021/jacs.6c02972openalex-snapshot

Unraveling the Electrochemical Mechanism of Cobalt Phthalocyanine for CO 2 and CO Reduction under Heterogenized Conditions

inferred← citeshttps://doi.org/10.1021/jp203252ropenalex-snapshot

Structural and Electronic Properties of Columnar Supramolecular Assemblies Formed from Ionic Metal-Free Phthalocyanine on Au(111)

inferred← citeshttps://doi.org/10.1021/jp410002popenalex-snapshot

Unusual Demetalation and Ordered Adsorption of a Pyridine-Appended Zinc Phthalocyanine at Metal–Electrolyte Interfaces Studied by in Situ Scanning Tunneling Microscopy and X-ray Photoelectron Spectroscopy

inferred← citeshttps://doi.org/10.1039/d5ra09189fopenalex-snapshot

Deep eutectic solvents as recyclable media for metal removal from crude oil

inferred← citeshttps://doi.org/10.1088/1674-0068/23/05/573-581openalex-snapshot

Vibrational Spectra and Density Functional Theory Calculations of Metallo-tetra-(tert-butyl)-tetra-azaporphyrines

inferred← citeshttps://doi.org/10.1134/s1070363212030346openalex-snapshot

New medicines and approaches to treatment of atherosclerosis

inferred← citeshttps://doi.org/10.1142/s1088424610002458openalex-snapshot

Influence of protonation of peripheral substituents on photophysical and photochemical properties of tetrapyrazinoporphyrazines

inferred← citeshttps://doi.org/10.1142/s1088424611003392openalex-snapshot

Aggregation of sulfonated free-base phthalocyanine on gold as a function of solution pH

inferred← citeshttps://doi.org/10.5012/jkcs.2013.57.3.311openalex-snapshot

Halide (Cl-, Br-, I-) Influence on the Electronic Properties of Macrocyclic Nickel(II) Complexes: Ab-initio DFT Study

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