Handbook of basic atomic spectrocopic data.pdf

Handbook of Basic Atomic Spectroscopic Data

J. E. Sansonetti a … and W. C. Martin

National Institute of Standards and Technology, Gaithersburg, Maryland 20899-0001

Received 4 March 2004; revised manuscript received 30 April 2004; accepted 21 May 2004; published online 28 September 2005

DOI: 10.1063/1.1800011

Contents

Fluorine

............................ 1715

Francium

.......................... 1720

Gadolinium

........................ 1721

1. Introduction................................ 1560

1.1. Atomic Data Tables...................... 1560

1.2. Strong Line Tables...................... 1560

1.2.1. Wavelengths. ..................... 1560

1.2.2. Intensities........................ 1561

1.3. Persistent Line Tables.................... 1561

1.3.1. Transition Probabilities............. 1561

1.3.2. Energy-Level Classiﬁcations. . ....... 1562

1.4. Energy Level Tables..................... 1562

1.5. Finding List............................ 1562

1.6. Acknowledgments....................... 1562

1.7. References............................. 1562

2. Data Tables for the Elements

Gallium

........................... 1731

Germanium

........................ 1734

Gold

............................. 1739

Hafnium

........................... 1744

Helium

........................... 1750

Holmium

.......................... 1756

Hydrogen

.......................... 1763

Indium

............................ 1766

Iodine

.............................. 1771

Iridium

............................ 1776

Iron

.............................. 1782

Krypton

........................... 1797

Ordered

Lanthanum

......................... 1805

Alphabetically

............................. 1564

Lead

.............................. 1811

Actinium

.......................... 1564

Lithium

............................ 1816

Aluminum

......................... 1568

Lutetium

.......................... 1820

Americium

........................ 1573

Magnesium

........................ 1825

Antimony

.......................... 1577

Manganese

........................ 1831

Argon

............................. 1582

Mercury

.......................... 1836

Arsenic

........................... 1592

Molybdenum

...................... 1840

Astatine

........................... 1595

Neodymium

....................... 1847

Barium

............................ 1596

Neon

............................. 1855

Neptunium

Berkelium

......................... 1600

........................ 1867

Beryllium

......................... 1606

Nickel

............................ 1871

Bismuth

........................... 1609

Niobium

.......................... 1878

Boron

............................. 1614

Nitrogen

........................... 1885

Bromine

........................... 1617

Osmium

........................... 1891

Cadmium

.......................... 1622

Oxygen

............................ 1898

Calcium

........................... 1625

Palladium

.......................... 1904

Californium

........................ 1630

Phosphorus

......................... 1909

Carbon

............................. 1634

Platinum

........................... 1915

Cerium

............................ 1640

Plutonium

......................... 1926

Cesium

............................ 1652

Polonium

.......................... 1932

Chlorine

........................... 1657

Potassium

.......................... 1933

Praseodymium

Chromium

......................... 1664

...................... 1937

Cobalt

............................ 1673

Promethium

....................... 1944

Copper

............................ 1679

Protactinium

....................... 1951

Curium

........................... 1684

Radium

........................... 1957

Dysprosium

........................ 1691

Radon

............................ 1960

Einsteinium

........................ 1698

Rhenium

.......................... 1962

Erbium

............................ 1702

Rhodium

.......................... 1968

Europium

.......................... 1708

Rubidium

......................... 1974

Ruthenium

......................... 1978

Samarium

......................... 1985

Electronic mail: jean.sansonetti@nist.gov

Scandium

.......................... 1992

0047-2689 Õ 2005 Õ 34 „ 4 … Õ 1559 Õ 701 Õ $39.00

1559

J. Phys. Chem. Ref. Data, Vol. 34, No. 4, 2005

1560

J. E. SANSONETTI AND W. C. MARTIN

Selenium

.......................... 1997

Although we have made heavy use of previous compila-

tions, our tables for the great majority of elements include at

least some data compiled by us from more recent original

literature and, in some cases, from unpublished material. Our

most extensive use of data from the original literature has

been for the heavier elements. Although the data are incom-

plete, our wavelength and energy level tables for these ele-

ments, especially, comprise a supplement to the ASD. For

example, the current version of the ASD includes energy-

level data for only two spectra

Silicon

............................ 2001

Silver

............................. 2009

Sodium

........................... 2013

Strontium

.......................... 2018

Sulfur

.............................. 2022

Tantalum

.......................... 2028

Technetium

........................ 2035

Tellurium

.......................... 2041

Terbium

........................... 2046

of the 72 spectra of

the neutral and singly-ionized atoms of the elements Rb to

Ba (Z

Mo I,II

Thallium

........................... 2051

Thorium

........................... 2054

72– 88) . No complete and

critical compilations of energy levels have appeared for most

of these spectra since Vols. 2 and 3 of Atomic Energy Levels

37– 56) and Hf to Ra (Z

Thulium

.......................... 2064

Tin

............................... 2071

Titanium

........................... 2076

M52, M58

. For

the

actinide

elements Ac–Es

Tungsten

........................... 2086

89– 99) , we were able to rely almost entirely on the very

complete compilation by Blaise and Wyart

Uranium

........................... 2093

For some spectra, especially some of the lighter elements,

we have taken data from existing compilations that have

been superseded by data reported in more recent literature.

BW92b

Vanadium

.......................... 2101

Xenon

............................ 2109

Ytterbium

......................... 2118

Yttrium

............................ 2124

1.1. Atomic Data Tables

Zinc

.............................. 2130

Zirconium

......................... 2133

3. References and Notes........................ 2141

4. Finding List............................... 2157

A small selection of nonspectroscopic atomic data has

been provided for each element. Included are the atomic

number and weight and a list of naturally occurring isotopes,

including the isotopic mass,

Indices.................................... 2258

5.1. Index by Atomic Number................. 2258

5.2. Index by Chemical Symbol............... 2259

the relative abundance,

the

nuclear spin

in units of h/2

, and the magnetic moment

units of nuclear magnetons

. For elements with no naturally

occurring isotopes, the most commonly observed isotopes

are listed. These data are taken from J. Emsley

E95

1. Introduction

1.2. Strong Line Tables

This handbook is designed to provide a selection of the

most important and frequently used atomic spectroscopic

data in an easily accessible compact format. The compilation

includes data for the neutral and singly-ionized atoms of all

elements hydrogen through einsteinium (Z

For each of the elements a list of the strongest lines in the

spectra of the neutral and singly-ionized atom has been com-

piled. This list includes the wavelength, the ionization stage,

the reference for the wavelength measurement, and an inten-

sity. Unless otherwise noted, the spectroscopic data in this

Handbook pertain to the naturally occurring isotopic mix for

each element.

1 – 99) . The

wavelengths, intensities, and spectrum assignments are given

in a table for each element, and the data for the approxi-

mately 12 000 lines of all elements are also collected into a

single table, sorted by wavelength

More complete data for a smaller number of the most per-

sistent lines of each spectrum are given in additional tables

for each element. In addition to the wavelengths and inten-

sities, the energy levels and transitions probabilities

a ‘‘ﬁnding list’’

1.2.1. Wavelengths

The wavelengths for many spectra have been taken from

Reader et al. ,

RCWM80

. Wavelengths given to three deci-

where

mal places in

have a stated uncertainty of less

than 0.001, and many of the two-place wavelengths in

RCWM80

available

are listed for a total of about 2400 lines in these

tables. We also give a separate table of energy level data for

each spectrum which, although incomplete, includes levels

additional to those involved in the persistent-line transitions.

More complete data than those selected for this Handbook

can usually be found in references given with the tables for

particular spectra. The data from most of the NIST compila-

tions we have used are available online from the Atomic

Spectra Database

are rounded off from three-place values in the

original literature.

Laboratory observations carried out since the publication

RCWM80

have yielded improved wavelength data for

many spectra, including more accurate wavelengths, in-

creased range of wavelength coverage, and more reliable as-

signments of observed lines to particular spectra. We have

used more recent data for many of the spectra. However, it is

important to note that our retention of wavelengths from

RCWM80

. In addition to

more extensive data for many of the spectra in this Hand-

book, the ASD has data for higher ionization stages of many

elements and includes the references.

ASD

see

MFKM99

, for any particular spectrum does not imply that

more accurate data do not now exist.

RCWM80

J. Phys. Chem. Ref. Data, Vol. 34, No. 4, 2005

ATOMIC SPECTROSCOPIC DATA

1561

In compiling these data, we have in many cases departed

from the practice of

d—line consists of two unresolved lines

h—hazy

l—shaded to longer wavelengths

P—a persistent line

r—easily reversed

s—shaded to shorter wavelengths

u—unresolved shoulder on strong line

w—wide

*—intensity may be affected by nearby line

In general, the character of a line depends on the spectro-

scopic source used, the resolution of the spectrometer, etc.

Most of the line characterizations in our tables are quoted

from

by quoting wavelengths

from the literature without rounding off, especially in cases

where the literature values were given to three or fewer deci-

mal places. The original references should be consulted for

uncertainty estimates.

RCWM80

1.2.2. Intensities

Unlike the other tabulated data, the relative intensities are

not basic data and must be used with caution. The relative

intensities of the spectral lines observed for any element de-

pend upon the light source and excitation conditions. Thus,

even if the relative intensities observed in a particular experi-

ment are adjusted to correct for the wavelength dependence

of the sensitivity of the spectrometer and detector, the inten-

sities will in general be different from relative intensities

given by a previous observer or tabulated in a compilation

such as this one. With a caveat that users should keep these

considerations in mind, we list a relative intensity for each

line. For some lines the wavelengths are so close to another

that it was impossible to make two separate intensity mea-

surements. For those lines the intensity of the blended line is

given for each and both intensities are marked with an aster-

isk.

For uniformity we have assigned an intensity of 1000 to

the strongest line

, so that the characters given for lines of

metallic elements usually pertain to the arc source used by

Meggers et al.

RCWM80

MCS75

see above

. In some cases we have

given character notations from

for lines for

which the tabulated wavelengths were obtained with a very

different

RCWM80

low-pressure

source.

1.3. Persistent Line Tables

In spectroscopic observations made with low concentra-

tions of a particular element relative to other substances in

the source, the number of observable lines of the element is

found to decrease with decreasing concentration until only

the most ‘‘persistent’’ or ‘‘sensitive’’ lines remain. Some au-

thors refer to the last such line

as the raie

ultime, i.e.,

of each spectrum. In most cases the cho-

the ultimate line

. Although the ultimate lines depend in

principle on the source, the spectrometer, and other features

of the experiment, a relatively small group of lines can be

speciﬁed for each element that will include the ultimate lines

as observed over a broad range of experimental conditions.

We designate our selection of these lines ‘‘persistent lines.’’

The strongest persistent lines usually include one or more

resonance lines, i.e., transitions to the ground level or term.

We include at least one of the resonance lines in our persis-

tent line table for each spectrum. The most sensitive or ulti-

mate lines for many spectra lie in the vacuum-ultraviolet

region (wavelength

sen line

or lines

can reasonably be regarded as the ultimate

line

. The relative intensities for most spectra here

are based on values from

Sec. IV

. We have attempted to

give improved intensities for some spectra by using more

recent and apparently more accurate data than that available

to the compilers of

RCWM80

It should be noted that the intensities in

RCWM80

for

lines of neutral and singly-ionized atoms of about half the

elements

RCWM80

mainly nd- and nf-shell metals

were taken at least

in part from

. These intensities were obtained from

observations of 10 A 220 V direct-current arc discharges be-

tween copper electrodes having 0.1% of the element under

investigation. The relative intensities were put on a linear

scale by the use of standardized lamps.

For several spectra we have altered some of the intensities

found in the literature to give smoother transitions between

wavelength regions covered by different observers. We have

also adjusted reported intensities given in a single reference

in some cases where the reported values were clearly af-

fected by strong self-absorption and/or by large wavelength-

dependent nonlinearities. Such adjustments were necessary

in order to assign the largest intensities to the inherently

strongest persistent lines

MCS75

2000 Å) . In such cases we have tried

to include some lines above 2000 Å in the persistent lines

list. We have also tried to make these tables more generally

useful for many spectra by covering broader wavelength

ranges than most tables of this sort.

In addition to the information given in the strong lines

table, the list of persistent lines includes the energy levels

involved in the transition, complete with conﬁguration, term

designations, and J values. Where available, the transition

probability is also given, along with the reference from

which it is taken.

usually the ultimate lines

1.3.1. Transition Probabilities

are indi-

cated by the letter ‘‘P’’ following the intensity. For some

spectra, other descriptive codes have been included to char-

acterize the line shape or give other related information.

They have the following meanings:

b—band head

c—complex

Lines we have selected as persistent

Sec. IV

The values are listed as A ki in units of 10 8 s 1 . These A ki

values can easily be converted to oscillator strengths, f ik ,

g i f ik , or log( g i f ik ), or line strength, S , using the following

formula:

10 8 A ki

2 g k

1 S ,

g i f ik

1.499

303.8

J. Phys. Chem. Ref. Data, Vol. 34, No. 4, 2005

1562

J. E. SANSONETTI AND W. C. MARTIN

where i refers to the lower energy level, k refers to the upper

level,

cause the calculated eigenvector for the level yields no

meaningful unique name. Some of these levels have been

assigned simple numerical designations under ‘‘Term.’’ The

parity of levels lacking designations is indicated by a degree

symbol in the ‘‘Term’’ column for odd-parity levels.

is the wavelength in ˚ ngstroms, and g

2 J

1 for a

given level.

The transition probability data are taken primarily from

three compilations and from references cited therein. The

NIST compilation

contains transition probabilities

for about 9000 lines, covering most elements. Major recent

compilations by Morton for elements

FW96

1.5. Finding List

from H to Ga

M91,M03

and from Ge to Bi

plus Th and U

M00

have

This table gives the wavelength, intensity, spectrum, and

reference for each line in this compilation, listed in order of

increasing wavelength. Although this list has fewer lines than

the ﬁnding list of

data for wavelengths longward of the Lyman limit

911.754

, and include a number of useful new references.

RCWM80

MCS75

, it includes some

1.3.2. Energy-Level Classiﬁcations

lines not given in the earlier publications.

Data pertaining to the two levels classifying each line are

given with data for the lower level above that for the upper

level. Included are the level values, conﬁgurations, term

names, and J values for the levels classifying the line. The

energy-level classiﬁcations for a few persistent lines are not

known, as indicated by the absence of level values. The ac-

curacies and spectroscopic designations of the levels are dis-

cussed in the next section.

1.6. Acknowledgments

We wish to acknowledge the generous help of several

NIST colleagues. Shari Young, with much patience and per-

sistence, assembled the database, including all the markup

language. Arlene Robey gave expert assistance with data-

handling and bibliographic aspects of the work. The coop-

eration and helpfulness of Jonathan Baker, Svetlana Ko-

tochigova, Peter Mohr, Victor Kaufman, Gillian Nave,

Joseph Reader, Craig Sansonetti, and Jack Sugar in supply-

ing unpublished data are greatly appreciated. We thank Jef-

frey Fuhr and Wolfgang Wiese for guidance in ﬁnding and

assessing transition-probability data. We also thank John

Rumble for his advocacy and advice about publication of this

work.

A number of colleagues from other laboratories have

kindly provided unpublished data or electronically readable

ﬁles of published data. We are very grateful to Vladimir Az-

arov, Jean Blaise, James Brault, Gordon Drake, Sveneric Jo-

hansson, Gabriele Kalus, Alexander Kramida, Ulf Litzen,

Donald Morton, Byron Palmer, Juliet Pickering, Alexander

Ryabtsev, Toshizo Shirai, and Ward Whaling for this help.

1.4. Energy Level Tables

The tabulated energy levels represent a selection of the

available data for each spectrum, including all levels in-

volved in the persistent-line classiﬁcations. At least the lower

levels of the ground conﬁguration and other low-lying con-

ﬁgurations are given. The levels of some of the simpler spec-

tra are given complete up through the highest tabulated level,

but most of the known energy level structures of the more

complex spectra are omitted here. The ionization energies are

included except for a few spectra for which no reliable val-

ues are available. The reference for each level represents the

source of the level value.

Estimated uncertainties for the levels can usually be found

in the references. In our tables, the uncertainties are only

roughly indicated by the number of decimal places or signiﬁ-

cant ﬁgures in the values. The uncertainty corresponding to a

particular number of decimals may easily vary by an order of

magnitude, however, even within the data for one spectrum.

In most cases, the uncertainty is between 1 and

1.7. References

BW92b

J. Blaise and J.-F. Wyart, Energy Levels

and Atomic Spectra of Actinides , Int’l Tables

of Selected Constants 20

30 units in

the last decimal place or signiﬁcant ﬁgure, but still larger

errors can occur. The uncertainty in the relative position of

two levels having different uncertainties is at least as large as

the greater of the two level uncertainties. In this regard, it is

important to notice the number of decimals given for the

ground level; the uncertainties of the absolute values of the

excited levels and ionization energy are at least as large as

the indicated ground-level uncertainty.

The conﬁguration and term notations are standard for

NIST compilations. Explanations of the notations for the dif-

ferent coupling schemes and of the arrangement of the data

can be found in

Tables de Constantes,

Paris,

. Available: http//www.lac.

u-psud.fr/Database/Contents.html

1992

E95

J. Emsley, The Elements , Oxford Chemistry

Guides

Oxford University Press, New York,

NY, 1995

FW96

J. R. Fuhr and W. L. Wiese, NIST Atomic

Transition Probability Tables, CRC Handbook

of Chemistry and Physics , 77th ed., D. R. Lide,

ed.

CRC Press, Boca Raton, FL, 1996

M91

D. C. Morton, Astrophys, J. Suppl. Ser. 77 ,119

1991

MZH78

MW96

and online as a part of

M00

D. C. Morton, Astrophys, J. Suppl. Ser. 130 ,

403

the ‘‘Help’’ section of ASD

. Some levels of

complex spectra are given without term names, either be-

cause the level has not been interpreted theoretically or be-

MFKM99

2000

M03

D. C. Morton, Astrophys. J. Suppl. Ser. 149 ,

205

2003

J. Phys. Chem. Ref. Data, Vol. 34, No. 4, 2005

ATOMIC SPECTROSCOPIC DATA

1563

M52

C. E. Moore, Atomic Energy Levels , Natl. Bur.

Stand.

MZH78

W. C. Martin, R. Zalubas, and L. Hagan, Atomic

Energy Levels—The Rare-Earth Elements , Nat.

Stand. Ref. Data Ser., Nat. Bur. Stand

; reprinted

as Natl. Stand. Ref. Data Ser., Natl. Bur. Stand.

U.S.

Circ. 467, Vol. II

1952

U.S.

1971

1978

M58

C. E. Moore, Atomic Energy Levels , Natl. Bur.

Stand.

RCWM80

J. Reader, C. H. Corliss, W. L. Wiese, and G. A.

Martin, Wavelengths and Transition

Probabilites for Atoms and Atomic Ions , Natl.

Stand. Ref. Data Ser., Natl. Bur. Stand.

;

reprinted as Natl. Stand. Ref. Data Ser., Natl.

Bur. Stand.

U.S.

Circ. 467, Vol.

III

1958

U.S.

1971

U.S.

MCS75

W. F. Meggers, C. H. Corliss, and B. F.

Scribner, Tables of Spectral-Line Intensities ,

Natl. Bur. Stand.

1980

. Part I, Sec. 1 of these tables

lines

arranged by element

are included with some

corrections and additions in J. Reader and C. H.

Corliss, Line Spectra of the Elements, CRC

Handbook of Chemistry and Physics , 77th ed.,

D. R. Lide, Ed.

MFKM99 W. C. Martin, J. R. Fuhr, D. E. Kelleher, A.

Musgrove, J. Sugar, W. L. Wiese, P. J. Mohr,

and K. Olsen, NIST Atomic Spectra Database

U.S.

, Monogr. 145

1975

CRC Press, Boca Raton, FL,

. Available: http://

physics.nist.gov/asd. National Institute of

Standards and Technology, Gaithersburg, MD.

Version 2.0

1999

Online

1997

MW96

W. C. Martin and W. L. Wiese, Atomic

Spectroscopy, in Atomic Molecular, & Optical

Physics , G. W. F. Drake, ed.

American Inst. of

Physics, Woodbury, New York, 1996

, pp. 135–

153.

J. Phys. Chem. Ref. Data, Vol. 34, No. 4, 2005

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