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PROTON AFFINITY, IONIZATION-ENERGY, AND THE NATURE OF FRONTIER ORBITAL ELECTRON-DENSITY
被引:39
作者
:
DEKOCK, RL
论文数:
0
引用数:
0
h-index:
0
机构:
Contribution from the Department of Chemistry, Calvin College, Grand Rapids, Michigan
DEKOCK, RL
BARBACHYN, MR
论文数:
0
引用数:
0
h-index:
0
机构:
Contribution from the Department of Chemistry, Calvin College, Grand Rapids, Michigan
BARBACHYN, MR
机构
:
[1]
Contribution from the Department of Chemistry, Calvin College, Grand Rapids, Michigan
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1979年
/ 101卷
/ 22期
关键词
:
D O I
:
10.1021/ja00516a006
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
A study of the correlation between proton affinity and lowest ionization energy reveals that molecular bases fit into three broad categories: two-electron lone-pair bases, π or σ bond-pair bases, and one-electron bases with relatively high electronic rearrangement energies. A fourth group of bases that cannot be categorized consists of one-electron bases with relatively low electronic rearrangement energies. © 1979, American Chemical Society. All rights reserved.
引用
收藏
页码:6516 / 6519
页数:4
相关论文
共 41 条
[1]
QUANTITATIVE PROTON AFFINITIES, IONIZATION-POTENTIALS, AND HYDROGEN AFFINITIES OF ALKYLAMINES
[J].
AUE, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
AUE, DH
;
WEBB, HM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
WEBB, HM
;
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
BOWERS, MT
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(02)
:311
-317
[2]
MOLECULAR PHOTOELECTRON-SPECTROSCOPY AT 132.3 EV - 2ND-ROW HYDRIDES
[J].
BANNA, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
BANNA, MS
;
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
SHIRLEY, DA
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(11)
:4759
-4766
[3]
ION CYCLOTRON RESONANCE SPECTROSCOPY
[J].
BEAUCHAM.JL
论文数:
0
引用数:
0
h-index:
0
BEAUCHAM.JL
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1971,
22
:527
-&
[4]
PREDICTIVE VALUE OF PROTON AFFINITY - IONIZATION-ENERGY CORRELATIONS INVOLVING OXYGENATED MOLECULES
[J].
BENOIT, FM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
BENOIT, FM
;
HARRISON, AG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
HARRISON, AG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(12)
:3980
-3984
[5]
AB-INITIO INVESTIGATION OF HCO+ AND COH+ MOLECULE-IONS - STRUCTURE AND POTENTIAL SURFACES FOR DISSOCIATION IN GROUND AND EXCITED-STATES
[J].
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
BRUNA, PJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
PEYERIMHOFF, SD
;
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
BUENKER, RJ
.
CHEMICAL PHYSICS,
1975,
10
(2-3)
:323
-334
[6]
BRUNDLE CR, 1977, ELECTRON SPECTROSCOP, V1
[7]
CORRELATION BETWEEN PROTON AFFINITY AND CORE-ELECTRON IONIZATION-POTENTIALS FOR DOUBLE-BONDED OXYGEN - SITE OF PROTONATION IN ESTERS
[J].
CARROLL, TX
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,RADIAT CTR,CORVALLIS,OR 97331
CARROLL, TX
;
SMITH, SR
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,RADIAT CTR,CORVALLIS,OR 97331
SMITH, SR
;
THOMAS, TD
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,RADIAT CTR,CORVALLIS,OR 97331
THOMAS, TD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(03)
:659
-660
[8]
SITE OF PROTONATION IN AROMATIC AND ACYCLIC AMINES AND ACYCLIC AMIDES REVEALED BY N1S CORE LEVEL ELECTRON-SPECTROSCOPY
[J].
CAVELL, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
CAVELL, RG
;
ALLISON, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
ALLISON, DA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(12)
:4203
-4204
[9]
RELATIVE GAS-PHASE ACIDITIES AND BASICITIES FROM A PROTON POTENTIAL MODEL
[J].
DAVIS, DW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
DAVIS, DW
;
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
SHIRLEY, DA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(25)
:7898
-7903
[10]
MODEL FOR PROTON AFFINITIES AND INNER-SHELL ELECTRON BINDING-ENERGIES BASED ON HELLMANN-FEYNMAN THEOREM
[J].
DAVIS, DW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
DAVIS, DW
;
RABALAIS, JW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
RABALAIS, JW
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(17)
:5305
-5310
←
1
2
3
4
5
→
共 41 条
[1]
QUANTITATIVE PROTON AFFINITIES, IONIZATION-POTENTIALS, AND HYDROGEN AFFINITIES OF ALKYLAMINES
[J].
AUE, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
AUE, DH
;
WEBB, HM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
WEBB, HM
;
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
BOWERS, MT
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(02)
:311
-317
[2]
MOLECULAR PHOTOELECTRON-SPECTROSCOPY AT 132.3 EV - 2ND-ROW HYDRIDES
[J].
BANNA, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
BANNA, MS
;
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
SHIRLEY, DA
.
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(11)
:4759
-4766
[3]
ION CYCLOTRON RESONANCE SPECTROSCOPY
[J].
BEAUCHAM.JL
论文数:
0
引用数:
0
h-index:
0
BEAUCHAM.JL
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1971,
22
:527
-&
[4]
PREDICTIVE VALUE OF PROTON AFFINITY - IONIZATION-ENERGY CORRELATIONS INVOLVING OXYGENATED MOLECULES
[J].
BENOIT, FM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
BENOIT, FM
;
HARRISON, AG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
HARRISON, AG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(12)
:3980
-3984
[5]
AB-INITIO INVESTIGATION OF HCO+ AND COH+ MOLECULE-IONS - STRUCTURE AND POTENTIAL SURFACES FOR DISSOCIATION IN GROUND AND EXCITED-STATES
[J].
BRUNA, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
BRUNA, PJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
PEYERIMHOFF, SD
;
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER
BUENKER, RJ
.
CHEMICAL PHYSICS,
1975,
10
(2-3)
:323
-334
[6]
BRUNDLE CR, 1977, ELECTRON SPECTROSCOP, V1
[7]
CORRELATION BETWEEN PROTON AFFINITY AND CORE-ELECTRON IONIZATION-POTENTIALS FOR DOUBLE-BONDED OXYGEN - SITE OF PROTONATION IN ESTERS
[J].
CARROLL, TX
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,RADIAT CTR,CORVALLIS,OR 97331
CARROLL, TX
;
SMITH, SR
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,RADIAT CTR,CORVALLIS,OR 97331
SMITH, SR
;
THOMAS, TD
论文数:
0
引用数:
0
h-index:
0
机构:
OREGON STATE UNIV,RADIAT CTR,CORVALLIS,OR 97331
THOMAS, TD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(03)
:659
-660
[8]
SITE OF PROTONATION IN AROMATIC AND ACYCLIC AMINES AND ACYCLIC AMIDES REVEALED BY N1S CORE LEVEL ELECTRON-SPECTROSCOPY
[J].
CAVELL, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
CAVELL, RG
;
ALLISON, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
ALLISON, DA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(12)
:4203
-4204
[9]
RELATIVE GAS-PHASE ACIDITIES AND BASICITIES FROM A PROTON POTENTIAL MODEL
[J].
DAVIS, DW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
DAVIS, DW
;
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
SHIRLEY, DA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(25)
:7898
-7903
[10]
MODEL FOR PROTON AFFINITIES AND INNER-SHELL ELECTRON BINDING-ENERGIES BASED ON HELLMANN-FEYNMAN THEOREM
[J].
DAVIS, DW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
DAVIS, DW
;
RABALAIS, JW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
RABALAIS, JW
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(17)
:5305
-5310
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1
2
3
4
5
→