Part One I › Division II II › Section 122 122

Chemical Compounds: Molecular Structure and Chemical Bonding

Subject Outline

AThe theory of molecular structure: its history and development
- 1Early concepts of molecular structure
- 2Quantum mechanical and electrostatic approaches to the theory of molecular structure
- 3Molecular bonds and shapes
  - aSpatial arrangement of atoms: chains, rings, chelates, polymers
  - bIsomers: structural isomers, stereoisomers
- 4Time-dependency properties of molecules
- 5Molecular structure and its relation to the properties of bulk matter
  - aThe physical properties of matter as affected by molecular size, shape, and interactions, and interactions of molecules with radiations and fields
  - bThe chemical behaviour of matter as determined by the nature of molecular bonds
  - cThe chemical, physical, and biochemical properties of a substance inferred from its known or postulated molecular structure
BExperimental and theoretical procedures for the determination of molecular structures
- 1The separation, isolation, and purification of chemical substances based on chemical equilibria and rate phenomena
  - aBy volatility differences: distillation, sublimation, evaporization
  - bBy chromatography: liquid phase, gas phase, thin layer
  - cBy solubility differences: precipitation, crystallization, zone melting, solvent extraction
  - dBy ion-exchange reactions
  - eBy electrophoresis and electrolytic methods
  - fBy mechanical methods: filtration, sedimentation, sieving, flotation, centrifugation
- 2Classical methods of qualitative and quantitative analysis
- 3Instrumental methods used to identify functional groups, molecular sub-units, and structural features
  - aSpectrochemical methods: microwave, infrared, ultraviolet, Raman spectroscopy, colorimetry, atomic absorption spectroscopy
  - bMass spectrometry
  - cMagnetic resonance spectrometry
  - dThermometric methods: thermogravimetry, calorimetry, cryoscopy
  - eRadiochemical methods: radiometric analysis, activation analysis, isotopic dilution
  - fElectrochemical methods: potentiometry, polarography, electrodeposition, oscillometry
- 4Diffraction methods for determining molecular structures: electron, X-ray, and neutron beam diffraction
- 5Physical methods used to determine optical activity, magnetic susceptibility, calorific values, heat of combustion, activation energy, and reaction rates
- 6The synthesis and characterization of derivatives, or specifically modified molecules
- 7The determination of molecular weight based on thermodynamic theory, on transport phenomena, and on known spatial arrangements of atoms in the solid state
- 8The principles of conformational analysis as related to molecular structure
- 9The scattering of molecular beams and its usefulness in the study of molecular interactions
CSpectra of molecules
- 1The theory of molecular spectra
- 2Types of molecular spectra: microwave, infrared, Raman, visible, and ultraviolet spectra
- 3The interpretation of molecular band spectra in determining molecular structure
DThe theory of chemical bonding: its development and experimental bases
- 1Nonquantum treatments of chemical bonding
  - aEarly ideas and concepts of chemical bonding: valence
  - bThe early electronic theory of bonding
    - iThe nature of ionic bonds: shell theory, ion pairs
    - iiThe nature of covalent and coordinate bonds: the octet
  - cApplication of the quantum theory to atomic structure
- 2Quantum-mechanical treatment of chemical bonding
  - aAtomic and molecular orbital concepts
  - bBonding in the hydrogen molecule
  - cBonding in simple polyatomic molecules
  - dQuantum-mechanical calculations
- 3Other bonding effects: hydrogen bonding; metallic bonds in metals, intermetallic compounds, and coordination compounds; bonds in crystals, in weak associations, and in electron-deficient compounds
- 4Experimental observation of chemical bonding
- 5Anomalous molecular structures, or molecular fragments with apparently anomalous valences: free radicals, carbenes, carbanions, carbonium ions
ESystems of classification of chemical compounds or substances
- 1By their elemental composition or molecular structure: organic, inorganic, organometallic, and nonstoichiometric compounds
- 2By their bond type: ionic, covalent, and coordination compounds
- 3By their chemical reactivity: acids, bases, and salts; oxidizing and reducing agents
- 4By their physical state: gas, liquid, and solid
- 5By their origin: natural and synthetic
FInorganic compounds
- 1Nomenclature of binary, ternary, and coordination compounds
- 2Structural classification of inorganic compounds
  - aSalts
  - bOxides, anhydrides, acids, and bases
  - cCoordination compounds
  - dOrganometallic compounds [see G.1.c., below]
  - eCatenates
  - fInorganic polymers
  - gSpecial nonmetallic derivatives
- 3Methods of preparation of inorganic compounds
- 4Reactions of inorganic compounds; e,g., acid-base, substitution, isomerization, oxidation- reduction, addition
GOrganic compounds
- 1The major groups of organic compounds: their nomenclature, chemical and physical properties, synthesis, occurrence, reactions, and analysis
  - aHydrocarbons: aliphatic and aromatic
  - bOrganic halogen compounds: alkyl, alkenyl, and alkynyl halides; aryl halides
  - cOrganometallic compounds
  - dAlcohols, phenols, and ethers
  - eCarboxylic acids and their derivatives
  - fAldehydes, ketones, and their derivatives
  - gOrganic nitrogen compounds
  - hOrganic sulfur compounds
  - iOrganic phosphorus compounds
  - jOrganic silicon compounds
  - kHeterocyclic compounds
  - lOils, fats, and waxes
  - mCarbohydrates
  - nAmino acids, proteins, and peptides
  - oIsoprenoids and terpenes
  - pSteroids and their derivatives
  - qNucleotides and nucleosides
  - rNucleic acids: dna and rna
  - sAlkaloids
  - tDyestuffs and pigments
  - uOrganic polymers
- 2Preparation and purification of organic compounds
- 3Physical properties of organic compounds