bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lidar and Laser Remote Sensing
Authors: Killinger Dennis K. 
Published: September 2006

Abstract

Lidar or laser remote sensing involves the use of a laser beam as an optical probe of the surrounding environment and as a spectroscopic sensor of gases and constituents from afar. This chapter covers the basic techniques used for remote sensing of distant targets and surrounding atmospheric gases, but with an emphasis on the aspects of lidar that uses unique vibrational and rotational optical spectroscopy either in absorption or in Raman scattering. The basic physics of laser remote sensing is covered including that associated with the development of tunable laser sources, line width and wavelength parameters, atmospheric transmission through different atmospheric conditions of fog and gas cloud concentrations, and the detection of the lidar backscattered radiation. Aspects of the lidar equation are presented to help predict the signal‐to‐noise ratio (S/N) of the remote sensing signal, the influence and trade‐offs of using different targets (hard targets or atmospheric aerosols) and the use of different spectroscopic interactions including Raman, fluorescence, and nonshifted backscattered lidar radiation. Examples of current research using differential‐absorption lidar (DIAL) and Raman spectroscopic measurements are presented with specific examples of the remote sensing of NH
3
clouds and CO
2
in the atmosphere. Finally, the important role that the development of new tunable lasers plays in lidar sensing is emphasized.
Spectra–Structure Correlations in
R
aman Spectroscopy
Authors: Edwards H.G.M. 
Published: September 2006

Abstract
The article sets out to examine the effects of instrumental parameters on the observation of Raman spectral bands and of the importance of recognition of the presence of chemical functionality in specimens. Specific examples are considered using CO, CC, SS, and aromatic ring vibrations, especially where the adjacent positions or conjugation of these moieties creates wavenumber shifts in the observed spectra; predictions for the latter are considered alongside electronic, geometric, and mechanical aspects of the molecular structures of key compounds. Substituent‐sensitive Raman bands for aromatic ring vibrations are also discussed. Finally, some applications of the adoption of Raman spectra–structure correlations in real‐world examples taken from diverse areas are given, including the biodeterioration of rock substrata by invasive organisms, Shergotty–Nakhla–Chassigny (SNC) Martian meteorites, and the identification of genuine works of art from fakes. Tables of Raman wavenumbers of some important bonds in inorganic molecules and molecular ions and organic compounds are provided.
Infrared and
R
aman Spectra of Inorganic and Coordination Compounds
Authors: Nakamoto Kazuo 
Published: September 2006

Abstract
Inorganic molecules (ions) and ligands are classified into diatomic, triatomic, four‐atomic, five‐atomic, six‐atomic, and seven‐atomic types, and their normal modes of vibration are illustrated and the corresponding vibrational frequencies are listed for each type. Molecules of other types are grouped into compounds of boron, carbon, silicon, nitrogen, phosphorus, and sulfur, and the structures and infrared (IR)/Raman spectra of select examples are shown for each group. Group frequency charts including band assignments are shown for phosphorus and sulfur compounds. Other group frequency charts include hydrogen stretching frequencies, halogen stretching frequencies, oxygen stretching and bending frequencies, inorganic ions, and metal complexes containing simple coordinating ligands.
Automated Spectral Searching in Infrared,
R
aman and Near‐Infrared Spectroscopy
Authors: Lowry Stephen R. 
Published: September 2006

Abstract
The sections in this article are

Introduction

Spectral Search Algorithms

Peak Location Search

Spectral Searching with Peak Tables

Using the Full Spectrum for Searching

Preprocessing and Spectral Standardization

Resolution and Data Compression

Baseline Correction for Spectral Searching

Intensity Normalization for Spectral Libraries

Creation of Spectral Search Libraries

Sampling Technique

Spectral Range and Format

Intensity and Linearity

Physical Property Information

Mid‐Infrared Spectral Searching

Overview

An Example of

MIR

Spectral Searching

Near Infrared Spectral Searching

Overview

Special Considerations for

NIR

Searching

NIR

Search Example

Spectral Searching with
R
aman Spectra

Overview

Special Considerations for
R
aman Searching

An Example of
R
aman Spectral Searching

Conclusions
Utility of Isotopic Data
Authors: Durig James R. 
Published: September 2006

AbstractThe sections in this article areGeneral InformationVibrational AssignmentsVibrations with Near‐Zero IntensitiesTorsional ModesMetal–Ligand ModesDistinguishing Optical Translations from Librational ModesDetermination of Molecular SymmetriesMHDistances (M = C,Si,Ge)Carbon–Hydrogen DistancesSilicon–Hydrogen DistancesOther Atom–Hydrogen DistancesTheory
Calculation of Vibrational Frequencies by
H
artree–
F
ock‐Based and Density Functional Theory
Authors: Matsuura Hiroatsu , Yoshida Hiroshi 
Published: September 2006

Abstract
The sections in this article are

Introduction

Historical Overview

Theoretical Overview

HF

Force Constants

Density Functional Force Constants

Basis Sets

Calculation of Vibrational Frequencies by

HF

‐Based Theory

SQM

Method

SQM

Force Fields for π Electron Systems

Calculation of Vibrational Frequencies by

DFT

Performance of

DFT

Calculation

Evaluation of Functionals and Basis Sets

A New Approach to Vibrational Analysis by

DFT

WLS

Method
Calculation of Vibrational Frequencies by Molecular Mechanics
Authors: Hotokka Matti 
Published: September 2006

Abstract
The molecular mechanics (MM) method is a purely classical ball‐and‐spring model as opposed to the quantum chemical computational methods. The MM energy is formed as a sum of terms based on parameters such as the stiffness and equilibrium value of the chemical bonds, bond angles, torsions etc. Therefore, the success of the MM method depends on the flexibility of the parameterization or the force field. The basic principles of the MM method and a few examples of the available force fields are presented. The MM method is shown to offer a cost‐effective way of calculating the vibrational frequencies quite accurately. The band intensities may also be estimated.
Smoothing and Derivatives in Spectroscopy
Authors: DeNoyer L.K. , Dodd Jack G. 
Published: September 2006

Abstract
A review of classic methods for smoothing and derivatives is given in parallel with a presentation of new maximum likelihood, maximum entropy, and Bayesian smoothing and derivative methods. The fundamental equations for maximum likelihood and maximum entropy smoothing and equations for Bayesian derivatives are provided. Classic smoothing methods are compared to linearized maximum entropy smoothing by examining the equivalent Fourier filters. Tables show details of the peak widening effects of classic smoothing against the resolution preservation of maximum entropy smoothing. Likewise, figures illustrate the contrast between the loss of resolution and noisy character of Savitzky–Golay derivatives versus the resolution‐preserving and superior noise performance of Bayesian derivatives. The authors provide some philosophy on when to smooth, when to fold, and what to ask of a smoothing method.
B
eer's Law
Authors: Griffiths Peter R. 
Published: September 2006

Abstract

Beer's law is the fundamental law of quantitative absorption spectroscopy because it relates the absorbance to the product of the concentration of each analyte and the pathlength of the cell. In this article, the theoretical requirements for Beer's law to be obeyed are given; these include the need for a collimated beam of monochromatic radiation and the need for a dilute homogeneous solution of the analyte. In practice, these requirements can be relaxed but in order for Beer's law to be obeyed, interaction between the analyte molecules that can cause the absorptivity to change as a function of concentration must be constant. The optimum condition for quantitative spectroscopy is found when the transmittance is equal to 1/
e
. Baseline correction is sometimes needed to obtain the optimum result, but this may at times be a subjective operation. Instrumental effects on Beer's law linearity are discussed in some detail. For measurements of concentrated solutions made with a monochromator, the effect of stray radiation may be significant. The effect of instrumental resolution on Beer's law linearity is discussed in terms of the resolution parameter, which is the ratio of the width of the instrument line shape function to the full width of the band. Measuring the spectrum at low resolution only leads to nonlinear Beer's law behavior when the true peak absorbance is greater than about 0.5. Deviations from Beer's law for measurements made with a Fourier transform spectrometer are strongly dependent on the apodization function that is used. The Norton‐Beer medium apodization is recommended for achieving Beer's law linearity over very wide concentration ranges.
Classical Methods of Quantitative Analysis
Authors: Coates John 
Published: September 2006

Abstract
The sections in this article are

Introduction

Fundamental Relationships

The Recorded Spectrum and the Nature of the Measurement

Data Extraction and Preprocessing

Single Component

Two or More Components (Multicomponent)

Instrument Operation and Sample Handling

Instrument Issues

Sample Issues

Gases

Liquids, Semi‐Solids and Slurries

Solids

Calibration Procedures

Sources of Error

The Concept of the Method

Worked Examples
Inverse Least Squares and Classical Least Squares Methods for Quantitative Vibrational Spectroscopy
Authors: Franke James E. 
Published: September 2006

AbstractThe sections in this article areIntroductionTheory of Inverse Least Squares and Classical Least Squares MethodsInverse Least Squares CalibrationInverse Least Squares PredictionClassical Least Squares CalibrationClassical Least Squares PredictionData PreprocessingExtensions to Basic Inverse Least Squares and Classical Least Squares MethodsDiscussion of Inverse Least Squares and Classical Least Squares MethodsStatistical PropertiesAdvantages and DisadvantagesPerformance ComparisonsApplication of Multivariate Methods to Spectroscopic DataConclusions
Quantitative Spectroscopic Calibration
Authors: Mark Howard 
Published: September 2006

Abstract
After considering the meaning of the term ”calibration” in the context of spectroscopic analysis and the need for the application of ”modern” spectroscopic methods, this chapter provides an overview of the process of applying modern calibration concepts to the task of performing chemical analysis through spectroscopic measurements. The need for good chemical practice (representative sampling, proper sample handling, etc.) combined with the considerations for proper data handling and treatment (number of samples, reference value measurement, preliminary data transformations, etc.) is described and discussed. The bulk of the chapter then addresses the description and behavior of the various mathematical and computer algorithms that are used to relate the spectral data to the composition and properties of the sample.
Measurements of the Chemical Characteristics of Polymers and Rubbers by Vibrational Spectroscopy
Authors: Boerio F. James 
Published: September 2006

Abstract
The sections in this article are

Introduction

Branching and End Groups

Degradation

Stereoregularity

Chain Conformation

Defects in Polymer Conformation

Isomerism in Rubber Compounds

Hydrogen Bonding

Conjugated Double Bonds

Summary
Vibrational Spectroscopy of Conducting Polymers
Authors: Furukawa Yukio 
Published: September 2006

Abstract
The sections in this article are

Introduction

Infrared and
R
aman Spectra of Pristine Polymers

R
aman Spectra of Doped Polymers

Doped Polyacetylene

Doped Polythiophene

Doped Poly(

p

‐Phenylene)

Doped Poly(

p

‐Phenylenevinylene)

Doping‐ and Photo‐Induced Infrared Absorption

Infrared Spectra of Injected Carriers

Concluding Remarks
Infrared Spectroscopy in the Study of the Weathering and Degradation of Polymers
Authors: Gardette Jean‐Luc 
Published: September 2006

Abstract
The sections in this article are

Introduction

Identification of Oxidation Products

Infrared Spectra of Oxidized Samples

Chemical Derivatizations

Derivatization Using Sulfur Tetrafluoride

Derivatization Using Ammonia

Derivatization Using Nitric Oxide

Derivatization Using Sulfur Dioxide

Other Methods

Oxidation Mechanisms: Polypropylene Photooxidation

Characterization of Heterogeneous Oxidation

Surface Parallel Analysis

Cross‐Sectional Analysis by Micro‐

IR

Spectroscopy

Photoacoustic

IR

Spectroscopy

Attenuated Total Reflection
Dynamic Infrared Linear Dichroism Spectroscopy
Authors: Marcott Curtis , Noda Isao 
Published: September 2006

Abstract
The sections in this article are

Introduction

IR
Linear Dichroism and Molecular Orientations

Dichroic Parameters

Classical Theory of Linear Dichroism and Molecular Orientation

Limitation of the Classical Theory

Dynamic Mechanical Analysis

DMA
and Viscoelasticity

Mechanical Spectra

Dynamic Infrared Linear Dichroism Spectroscopy

Combination of
IR
Dichroism and
DMA

DIRLD
Spectra

Wavenumber Dependence of β(ν)

Instrumentation

General Considerations for Dynamic
IR
Spectrometers

Dispersive Dynamic
IR
Spectrometer

Mechanical and Thermal Components

Optical Components

Signal Demodulation, Data Acquisition, and Processing

Fourier Transform Dynamic

IR

Spectrometer

Dispersive
vs
Interferometric Instrumentation

Rapid‐Scanning

FT
‐
IR

Spectrometer

Step‐Scanning

FT
‐
IR

Spectrometer

Examples of

DIRLD

Measurements

Measurements with a Dispersive Spectrometer

Measurements with a Fourier Transform Spectrometer

Experimental Procedure

Conclusions
Vibrational Spectroscopy of Carbon and Silicon Materials
Authors: Yoshikawa M. , Nagai N. 
Published: September 2006

Abstract
Vibrational spectra of carbon and silicon materials are introduced in this section.
First of all, origin of Raman and infrared spectra of carbon materials such as graphite, diamond and amorphous carbon films are discussed and then typical examples of characterization by Raman and infrared spectroscopy in these materials are explained in detail. Next, the analytical method to characterize the local residual stress in local oxidation of silicon (LOCOS) and the microstructures in silicon dioxide is demonstrated by using Raman spectroscopy. Finally, we explain the local vibrational modes in silicon crystals and how to analyze surface of silicon crystals and silicon dioxide using infrared spectroscopy. Raman and infrared spectroscopy are useful techniques to characterize carbon and silicon materials.
Raman Spectroscopy of Semiconductors
Authors: Nakashima S. , Harima H. 
Published: September 2006

AbstractThe sections in this article areIntroductionStructural Characterization of SemiconductorsFundamentals of PhononRaman ScatteringDetermination of Crystallographic Orientation byRaman Polarization MeasurementRaman Image Measurements of Solid‐State GrowthSiFilmsEvaluation ofSiC‐Polytype Structures andGaAsAlAsSuperlattices from theRaman ScatteringRaman Scattering by Phonons in Mixed CrystalsEvaluation of Defects in SemiconductorsStacking Faults inSiCAmorphous Semiconductors and Conversion from Amorphous to Crystalline StateCharacterization of Electronic Properties in SemiconductorsLO–Phonon–Plasmon Coupled ModeConclusion
Vibrational Raman Spectroscopy of High‐temperature Superconductors
Authors: Thomsen C. , Kaczmarczyk G. 
Published: September 2006

Abstract
The sections in this article are

Introduction

R
aman Scattering

Theoretical Approaches to Vibrations in High‐

T

c

Materials

Vibrations in High‐

T

c

Superconductors

YBCO

and Related Compounds

The
Bi
2
Sr
2
Ca

n

− 1

Cu

n

O

2

n

+ 4

Superconductor Family

Characterization of High‐

T

c

Materials

Foreign Phases

Orientation and Oxygen Content

Epitaxy

Electron–Phonon Interaction

Self‐Energy Effects in High‐

T

c

Superconductors

Summary

Acknowledgments
R
aman Spectroelectrochemistry
Authors: Pemberton Jeanne E. 
Published: September 2006

Abstract
The sections in this article are

Introduction

Brief Overview of
R
aman Spectroelectrochemical Approaches

Resonance
R
aman Spectroscopy of Electrochemically Generated Solution Species

SERS

Surface‐Enhanced Resonance
R
aman Scattering

SERS

through Thin Film Transition Metal Electrodes on Enhancing Substrates

Surface Plasmon Polariton Enhanced
R
aman Spectroscopy

R
aman Spectroelectrochemical Emersion

Confocal
R
aman Spectroelectrochemistry

Surface
R
aman Spectroelectrochemistry without Enhancement

Experimental Considerations

R
aman Spectroelectrochemical Cells

Electrode Surfaces and their Preparation

R
aman Systems for Spectroelectrochemistry

Example Applications of
R
aman Spectroelectrochemistry

Characterization of Adsorbed Organics on Electrode Surfaces: 1‐Methylimidazole on
Ag

Characterization of Specifically Adsorbed Ions at Electrode Surfaces

Characterization of Interfacial Solvent Structure at Electrode Surfaces

Characterization of Electrochemical Interfaces Using
R
aman Spectroelectrochemical Emersion
Vibrational Spectroscopy Imaging of Agricultural Products
Authors: Budevska Boiana O. 
Published: September 2006

Abstract
Chemical imaging based on near‐ and mid‐infrared (IR) spectroscopy used for characterization of agricultural products is reviewed. The advantages of Fourier transform infrared (FT‐IR) microscopy compared to traditional methods for characterization of in situ plant tissue are described. Microspectroscopic mapping and imaging measurement approaches are discussed. The impacts of diffraction on the spatial resolution, sample heterogeneity, and other optical effects on the quality of data are discussed. Results from measurements of microtomed plant tissue are reviewed. An example of FT‐IR microspectroscopic images of the endosperm/aleurone/pericarb area of a mature corn kernel measured with a 64 × 64 mercury cadmium telluride focal‐plane array (MCT FPA) detector is presented and discussed in detail. Strategies for converting the FT‐IR hyperspectral data into chemical information are presented.
Process Measurements by Raman Spectroscopy
Authors: Everall Neil , Clegg Ian , King Bert 
Published: September 2006

AbstractRaman spectroscopy has long been recognized as a powerful analytical tool, capable of characterizing a wide range of materials, but for many years the size and complexity of instrumentation confined it to the research laboratory, making process analysis impractical. However, compact, sensitive and robust Raman instruments are now available that can be readily interfaced to production processes. This article attempts to illustrate the general capabilities of Raman spectroscopy as a process analytical tool. We first consider the instrumental and engineering aspects of making Raman measurements under production conditions, and then discuss some of the areas in which it has been fruitfully employed. The application examples discussed were chosen to cover the main range of sample types that one might encounter in the industry. We also describe some common artifacts and problems, which can arise and confuse the new practitioner.
Vibrational Spectroscopy in the Automotive Industry
Authors: Carter Roscoe O. , Weber Willes H. 
Published: September 2006

Abstract
Vibrational spectroscopy forms the basis for many of the analytical tools used in the automotive industry. These tools are divided naturally into those designed for gas‐phase studies and those for condensed‐matter investigations. The gas‐phase infrared measurements include speciation and time‐resolved studies of the chemistry of smog formation and the chemistry of hydrofluorocarbons and related compounds. The section concludes with a novel account of using gas‐phase Raman to test seals in micromachined devices. The condensed‐matter studies include catalyst materials, paints and other thin‐film coatings, plastics, and friction and wear interfaces and are among the topics discussed in this section. Improved functionality and/or durability of materials motivate most of these studies, but the identification for recycling purposes is also an issue. The authors have a combined 50 years of experience applying vibrational spectroscopy to a wide variety of problems. The topics chosen for discussion are focused on those investigations in which the authors or their colleagues have been directly involved. Thus, the review is not meant to be comprehensive.
Vibrational Spectroscopy of Supported Metal Catalysts
Authors: Kennedy Sinéad A. , Hollins Peter 
Published: September 2006

AbstractThe sections in this article areIntroduction and Historical PerspectiveExperimental TechniquesTransmission Infrared SpectroscopyDiffuse Reflection Infrared Fourier Transform Spectroscopy(DRIFTS)Infrared MicroscopyInfrared Emission SpectroscopyRaman SpectroscopyInelastic Neutron ScatteringInelastic Electron Tunneling SpectroscopyPhysical PrinciplesThe Metal–Surface Selection RuleDipolar Coupling EffectsApplicationsCarbon Monoxide AdsorptionMethanol SynthesisConclusion
Pathology by Infrared and
R
aman Spectroscopy
Authors: Jackson Michael , Mantsch Henry H. 
Published: September 2006

Abstract
The sections in this article are

Introduction

Historical Perspective

IR

R
aman

Applications of Vibrational Spectroscopy in Pathology

Sample Preparation

Representative Examples

Analysis of Biological Fluids

Analysis of Cells

Analysis of Tissues

Microscopic Techniques

Point Spectroscopy

Mapping/Imaging

Spatial Resolution, Spectral Resolution, Signal‐to‐Noise Ratio and Acquisition Time

Summary and Prospects for the Future
Glucose Measurements by Vibrational Spectroscopy
Authors: Heise H.M. 
Published: September 2006

AbstractThe aldohexose glucose is the most abundant monosaccharide in physiological samples because of its metabolic importance for eucaryotic cells.d‐Glucose exists in two stereoisomer forms, that is, theα‐ andβ‐anomers, which also show differences in their vibrational spectra. The mid‐ and near‐infrared spectra and the Raman spectra are presented in comparison mainly to the hexose of fructose (a furanose). Spectral data are illustrated for the crystalline substance and for glucose in aqueous solutions. The latter spectra are important for analytical applications within the life science area for reagent‐free spectroscopic assays, competing with conventional enzyme‐based amperometric biosensor technologies. For quantitative biofluid analysis, multivariate calibrations are usually employed to achieve the required assay selectivity. Besides biotechnological applications clinical methods are also described, which aim at the analysis of whole blood and derived fluids, and of others such as urine or the aqueous humour of the eye. In addition, activities with regard to noninvasive blood glucose measurements are described.