Chapter 1 The schrodinger equation §11 Quantum Chemistry the late 1600s Classical mechanics. Newton Macroscopic objects the early 1900s Quantum Mechanics Microscopic objects (electrons, nuclei)
Quantum Chemistry Applies quantum mechanics to problems in chemistry Physical chemistry thermodynamic properties, molecular spectra transition states in chemical reactions rate constants Organic Chemistry reaction intermediates mechanisms of chemical reactions Analytical Chemistry frequencies intensities of lines
Inorganic Chemistry Ligand field theory, transition-metal complex Nano science Biological Chemistry
Blackbody-radiation(黑体辐射) Blackbody: an object that absorbs all light falling on it The results of statistical mechanics and the electromagn- etic-wave model are in complete disagreement with the high frequency portion of the experimental curves In 1900. Max plank The atom of the blackbody could emit light only in amounts given by hv h: Plank's constant h=6.6x10
In good agreement with the experimental blackbody curve Planck's work marks the beginning of quantum mechanics Classical Mechanics: energy varies continuously
Photoelectric effect Light shining on a metal cause emission of electrons The energy of a wave is proportional to its intensity, the kinetic energy of emitted photoelectron would increase as the light intensity increases- the electromagnetic-wave picture the kinetic energy is independent of lights intensity - exper'iment In 1903. einstein light is composed of paticlelike entities(photons) hoton v=Φ+T
Increase in the lights frequency v increases the kinetic energy of the emitted electrons Increase in the lights intensity at fixed frequency L> increases the rate of the emission of electrons The photoelectric effect shows that light can exhibit particlelike behavior in addition to the wavelike ehavior
.The structure of matter In late 1800s, electrons(negative charge) proton(positive charge) 1836 times as heavy as electron neutron(uncharged, 1932) In 1904 Thomson the positive charge were spread through the atom In 1909 Rutherford a particle (helium i)passed through atom large deflections(大角度散射) 1911. Rutherfords planetary model the electrons revolved about the nucleus in various orbital
Fundamental difficulty an accelerated charge particle radiates energy in the form of electromagnetic waves classical electromagnetic theory In1913 Bohr(玻尔) the energy of the electron in a hydrogen was quantized E E appel ower The assumption was in good agreement with the observed hydrogen spectrum failed to fit the helium spectrum In1923. de broglie(德不罗意) hh the motion of electrons might have a wave aspect
wave- particle duality(波粒二象性) Particle: localized Wave: nonlocalized