ΠΑΡΑΡΤΗΜΑ

ΠΗΓΕΣ ΚΑΙ ΒΑΣΕΙΣ ΔΕΔΟΜΕΝΩΝ ΓΙΑ ΦΑΣΜΑΤΟΣΚΟΠΙΑ ΟΡΓΑΝΙΚΩΝ ΕΝΩΣΕΩΝ ΕΙΚΟΝΕΣ ΦΑΣΜΑΤΟΦΩΤΟΜΕΤΡΩΝ ΚΑΙ ΦΑΣΜΑΤΟΓΡΑΦΩΝ ΠΥΡΗΝΙΚΟΣ ΜΑΓΝΗΤΙΚΟΣ ΣΥΝΤΟΝΙΣΜΟΣ ΥΠΕΡΑΓΩΓΙΜΟΙ ΜΑΓΝΗΤΕΣ

319

ΦΩΤΟΓΡΑΦΙΕΣ ΦΑΣΜΑΤΟΦΩΤΟΜΕΤΡΩΝ ΤΕΧΝΙΚΩΝ ΦΑΣΜΑΤΟΣΚΟΠΙΑΣ ΥΠΕΡΑΓΩΓΙΜΩΝ ΜΑΓΝΗΤΩΝ ΔΙΑΤΑΞΕΙΣ ΧΡΩΜΑΤΟΓΡΑΦΩΝ

-

ΦΑΣΜΑΤΟΜΕΤΡΩΝ ΜΑΖΩΝ

340

ΥΠΕΡΥΘΡΗ ΦΑΣΜΑΤΟΣΚΟΠΙΑ SPECTROMETER) FT – NIR (FOURIER TRANSFORM –NEAR INFRARED

http://www.sys.wakayama-u.ac.jp/mc/photon/equipment/photo/FT IR.jpg

341

ΥΠΕΡΥΘΡΗ ΜΕ ΦΑΣΜΑΤΟΣΚΟΠΙΑ SPECTROMETER) ΜΙΚΡΟΣΚΟΠΙΟ FT – NIR (FOURIER TRANSFORM –NEAR INFRARED ΥΠΕΡΥΘΡΗ ( ΦΑΣΜΑΤΟΣΚΟΠΙΑ SPECTROMETER) ΤΗΕΡΜΟ , NICOLET) FT – NIR (FOURIER TRANSFORM –NEAR INFRARED

http://www.thermo.com/com/CMA/Images/Image_26405.jpg

342

ΥΠΕΡΥΘΡΗ ΦΑΣΜΑΤΟΣΚΟΠΙΑ SPECTROMETER) (BRUKER 22/N) FT – NIR (FOURIER TRANSFORM –NEAR INFRARED ΥΠΕΡΥΘΡΗ ΦΑΣΜΑΤΟΣΚΟΠΙΑ SPECTROMETER) (BRUKER – VECTOR 22-NIR) FT – NIR (FOURIER TRANSFORM –NEAR INFRARED

343

ΠΥΡΗΝΙΚΟΣ ΜΑΓΝΗΤΙΚΟΣ ΣΥΝΤΟΝΙΣΜΟΣ ( παλαιά τεχνολογία με ηλεκτρομαγνήτες )

344

ΠΥΡΗΝΙΚΟΣ ΜΑΓΝΗΤΙΚΟΣ ΣΥΝΤΟΝΙΣΜΟΣ ( ΥΠΕΡΑΓΩΓΙΜΟΙ ΜΑΓΝΗΤΕΣ ) http://www.bk.tsukuba.ac.jp/~mmml/Photos/NMR.jpg

NMR-300 MHz

345

ΠΗΓΕΣ ΓΙΑ ΒΑΣΕΙΣ ΔΕΔΟΜΕΝΩΝ ΚΑΙ ΦΑΣΜΑΤΑ ΟΡΓΑΝΙΚΩΝ ΕΝΩΣΕΩΝ

320

ΦΑΣΜΑΤΑ ΟΡΓΑΝΙΚΩΝ ΕΝΩΣΕΩΝ

(National Institute of Advanced Industrial Science and Technology, JAPAN )

Welcome to Spectral Database for Organic Compounds, SDBS.

This is a free site organized by National Institute of Advanced Industrial Science and Technology (AIST) , Japan.

NMR:

T.Saito, K.Hayamizu, M.Yanagisawa and O.Yamamoto

MS:

N.Wasada

ESR:

K.Someno

IR:

S.Kinugasa, K.Tanabe and T.Tamura

Raman:

K.Tanabe and J.Hiraishi

321

(National Institute of Advanced Industrial Science and Technology, JAPAN )

What's New [ Last Up Date 2006/ 4/14 ] RIO-DB (Research Information Database) is a multimedia one concerning various research information which are developed and accumulated as many AIST R&D projects. RIO-DB project aims to contribute to creation and promotion of new business from academic society to industrial community by spreading around the research information via internet. Following items are published as RIO-DB from TACC (Tsukuba Advanced Computing Center) , and the contents will be continually revised.

Standard * Research Information Data Base Chemistry

• • • • • • • • • Database of Standard Object Color: Spectral Reflectance Distribution and Corresponding Color Network Database System for Thermophysical Property Data

Earth Sciences

Geological Literature Earth Science Database Northwest Pacific Carbon Cycle Study Volcanoes, Strata, and Other Geologic Units in Japan Image Database of Geothermal Drill Core Samples NW-Pacific Marine Mineral Data Environmental Impact Research for Deep Seabed Mineral Resource Development • • • • • • • •

Energy

• • Integrated Spectral Data Base System for Organic Compounds (SDBS) C1-chemistry database Computed Property Data Base for Molecules (CPDB) Green & Sustainable Chemistry DataBase Fluorine Compounds Database Raman Spectra Database of Minerals and Inorganic Materials High Resolution Molecular Spectroscopy Data Base Super critical Fluid Database(AIST Tohoku) Energy Technology Data Base Data Base on Operations of Coal Liquefaction Bench Plant http://www.aist.go.jp/RIODB/riohomee.html

322

Εισαγωγή σε Βάση Δεδομένων Φασμάτων (SDBS)

Introduction to the Spectral Data Base System (SDBS) SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1 H nuclear magnetic resonance (NMR) spectrum, a 13 C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum. We started the studies on the spectral database system in early 1970s. The construction of the database in the present format was started in 1982 in a mainframe computer that was finished at the end of March 1999. In 2001, National Metrology Institute of Japan (NMIJ) under National Institute of Advanced Industrial Science and technology (AIST) started to manage and to maintain the SDBS. Currently, EI-MS spectrum, 1 H NMR spectrum, 13 C NMR spectrum, FT-IR spectrum, and the compound dictionary are active for correcting and maintenance of the data. Since 1997, SDBS has opened to the public with free of charge through TACC (Tsukuba Advanced Computing Center) as RIO-DB (Research Information Data Base). The total accumulated number of access almost reached 85 million at the end of August 2004. SDBS is a fact database that contains spectral pattern and has been an important database that sends information from Japan to all over the world. The numbers of the data present at the end of September 2004 were as follows. Compounds: ca 32 200 compounds updated MS: ca 22 900 spectra updated 1 H NMR: ca 14 000 spectra updated 13 C NMR: ca 12 300 spectra updated FT-IR: ca 49 800 spectra updated Raman: ca 3500 spectra ESR: ca 2500 spectra Most of these spectra were measured in our institute. http://www.aist.go.jp/RIODB/SDBS/HELP/Introduction_ENG.html

323

SDBS

Information

SDBS No.:

673

Compound Name:

benzoic acid

Molecular Formula:

C

7

H

6

O

2

Molecular Weight:

122.1

CAS Registry No.:

65-85-0

Spectral Code:

Mass : 13 C NMR : in CDCl 3 1 H NMR : 90 MHz in CDCl 3 IR : CCl 4 solution IR : KBr disc IR : nujol mull Raman : 4880 A,200 M,powder Chemical Information: http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre

324

325

326

ΠΡΟΒΛΗΜΑΤΑ ΦΑΣΜΑΤΩΝ IR&NMR (Dpt of Chemistry, UCLA)

Problems in NMR and IR Spectroscopy

Welcome to WebSpectra - This site was established to provide chemistry students with a library of spectroscopy problems. Interpretation of spectra is a technique that requires practice - this site provides 1 H NMR and spectroscopy.

13 C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret. Hopefully, these problems will provide a useful resource to better understand This project is supported by Cambridge Isotope Laboratories and the UCLA Department of Chemistry and Biochemistry Project Director NMR Facility Contributor Professor Craig A. Merlic Dr. Jane Strouse ©Copyright 1997 Craig A. Merlic, Barry C. Fam and The Regents of University of California

Instructional Documents Awards

• • • • • • Solving Spectral Problems Overview of NMR Spectroscopy Notes on NMR Solvents Types of NMR Spectra Introduction to IR Spectra Table of IR Absorptions

NMR Links of Interest

General • • WebSpectra Technical Notes NMR at Widener University Widener University, Pennsylvania • • Integrated Spectral Data Base System for Organic Compounds National Institute of Materials and Chemical Research, Japan Tools Spectrum Archives • • Organic Structure Elucidation Workbook University of Notre Dame, Indiana The FTNMR Free Induction Decay Archive Pacific Lutheran University, Washington Software • • Compilation of Educational NMR Software University of York, United Kingdom Compilation of Educational NMR Software European Molecular Biology Laboratory, Germany http://www.chem.ucla.edu/~webspectra/ 327

ΠΡΟΒΛΗΜΑΤΑ – ΑΣΚΗΣΕΙΣ ΦΑΣΜΑΤΟΣΚΟΠΙΑΣ

NH 2 O CH 3

ο -anisidine 1-amino-2-methoxybenzene

328

C 7 H 9 NO ο Ανισιδίνη 1 Αμινο -2 μεθοξυβενζόλιο

ΒΑΣΗ ΔΕΔΟΜΕΝΩΝ ΓΙΑ ΦΑΣΜΑΤΑ (National Institute of Science and Technology)

Welcome to the NIST Chemistry WebBook

The NIST Chemistry WebBook provides access to data compiled and distributed by NIST under the Standard Reference Data Program . The NIST Chemistry WebBook contains: •

Thermochemical data for over 7000 organic and small inorganic compounds:

• o o o o Enthalpy of formation Enthalpy of combustion Heat capacity Entropy o o Phase transition enthalpies and temperatures Vapor pressure

Reaction thermochemistry data for over 8000 reactions.

• o o Enthalpy of reaction Free energy of reaction

IR spectra for over 16,000 compounds.

•

Mass spectra for over 15,000 compounds.

•

UV/Vis spectra for over 1600 compounds.

•

Gas chromatography data for over 27,000 compounds.

•

Electronic and vibrational spectra for over 5000 compounds.

•

Constants of diatomic molecules (spectroscopic data) for over 600 compounds.

•

Ion energetics data for over 16,000 compounds:

o o o o o o Ionization energy Appearance energy Electron affinity Proton affinity Gas basicity Cluster ion binding energies You can search for data on specific compounds in the Chemistry WebBook based on name, chemical formula, CAS registry number, molecular weight, chemical structure, or selected ion energetics and spectral properties. http://webbook.nist.gov/ 329

Standard Reference Data Program Data Gateway Online Databases Chemistry WebBook

Hydroquinone

• • • •

Formula:

C 6 H 6 O 2

Molecular weight:

110.11

IUPAC International Chemical Identifer:

o InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H o Download the identifier in a file .

CAS Registry Number:

123-31-9 • • • • •

Chemical structure:

This structure is also available as a 2d Mol file or as a computed 3d Mol file .

Other names:

1,4-Benzenediol; p-Benzenediol; p-Dihydroxybenzene; p-Dioxybenzene; p Hydroquinone; p-Hydroxyphenol; Arctuvin; Benzohydroquinone; Benzoquinol; Diak 5; Eldopaque; Eldoquin; Hidroquinone; Hydroquinol; HE 5; Phiaquin; Quinol; Tecquinol; Tenox HQ; 1,4-Dihydroxybenzene; 4-Hydroxyphenol; p-Dioxobenzene; Hydrochinone; α hydroquinone; β -quinol; Artra; Benzene, p-dihydroxy-; Black and White Bleaching Cream; Derma-Blanch; Dihydroxybenzene; Hydrochinon; Hydroquinole; HQ; Idrochinone; Melanex; NCI-C55834; Tequinol; USAF ek-356; 1,4-Dihydroxy-benzeen; 1,4-Dihydroxy-benzol; 1,4 Dihydroxybenzen; 1,4-Diidrobenzene; UN 2662; Dihydroquinone; Aida; component of Artra; Eldopacque; Eldopaque forte; Eldoquin forte; Hydroquinone, 1,4-benzenediol; p Hydroxybenzene; Solaquin forte; Tecquinol tech. grade

Information on this page:

o o Infrared Spectrum References o Notes / Error Report

Other data available:

o Gas phase thermochemistry data o o Condensed phase thermochemistry data Phase change data o Reaction thermochemistry data o o o o o o Henry's Law data Gas phase ion energetics data IR Spectrum Mass Spectrum UV/Visible Spectrum Gas Chromatography

Options:

o Switch to calorie-based units

Infrared Spectrum Go To:

Top , References , Notes / Error Report

330

Notice:

Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected… http://webbook.nist.gov/cgi/cbook.cgi?ID=C123319&SI&Type=IR-SPEC&Inde .

331

http://webbook.nist.gov/cgi/cbook.cgi?ID=C123319&Units=SI&Mask=200

332

http://webbook.nist.gov/cgi/cbook.cgi

?

333

ΒΑΣΗ ΔΕΔΟΜΕΝΩΝ ΓΙΑ ΦΑΣΜΑΤΑ (CHEM EXPER)

334

http://newsearchch.chemexper.com/cheminfo/servlet/org.cheminfo.applet.nemo

.

335

http://newsearchch.chemexper.com/cheminfo/servlet/org.cheminfo.applet.nemo

.

336

ΠΡΟΒΛΗΜΑΤΑ ΓΙΑ ΦΑΣΜΑΤΑ ΟΡΓΑΝΙΚΩΝ ΕΝΩΣΕΩΝ

http://www.nd.edu/~smithgrp/structure/welcome.html

337

Problem 7 - IR spectrum C 6 H 10 : MW = 82

Problem 7 -

1

H NMR spectrum (CDCl

3

, 500 MHz)

http://www.nd.edu/~smithgrp/structure/p7x.html

338

Problem 7 -

13

C NMR spectrum (CDCl

3

, 125 MHz)

http://www.nd.edu/~smithgrp/structure/workbook.html

339

ΦΩΤΟΓΡΑΦΙΕΣ ΦΑΣΜΑΤΟΦΩΤΟΜΕΤΡΩΝ ΤΕΧΝΙΚΩΝ ΦΑΣΜΑΤΟΣΚΟΠΙΑΣ ΥΠΕΡΑΓΩΓΙΜΩΝ ΜΑΓΝΗΤΩΝ ΔΙΑΤΑΞΕΙΣ ΧΡΩΜΑΤΟΓΡΑΦΩΝ

-

ΦΑΣΜΑΤΟΜΕΤΡΩΝ ΜΑΖΩΝ

340