Matrix isolation Raman spectroscopy, semiempirical calculations and normal coordinate analysis of strained systems - Part I: 2,3-diazabicyclo[2.2.1]hept-2-ene

被引：3

作者：

Gernet, D ^{[1
]}

Kiefer, W ^{[1
]}

机构：

[1] Univ Wurzburg, Inst Phys Chem, D-97074 Wurzburg, Germany

来源：

FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY | 1998年 / 362卷 / 01期

关键词：

D O I：

10.1007/s002160051039

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The Raman wavenumbers of 2,3-diazabicyclo[2.2.1]hept-2-ene (DBH), isolated in a low-temperature matrix, are presented and assignments for all vibrational fundamentals are proposed. The molecular structure of DBH is calculated by means of semi-empirical quantum-mechanics and a normal coordinate analysis of the strained bicyclic system is performed in internal coordinates using a valence force field. A detailed description of a homemade matrix isolation setup is given.

引用

页码：84 / 90

页数：7

共 29 条

[1] OXYGEN TRAPPING AND THERMOCHEMISTRY OF A HYDROCARBON SINGLET BIRADICAL - 1,3-DIPHENYLCYCLOPENTANE-1,3-DIYL [J].

ADAM, W ;

PLATSCH, H ;

WIRZ, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (17) :6896-6898

[2] DETERMINATION OF THE TRIPLET LIFETIMES OF 1,3-CYCLOPENTADIYL BIRADICALS DERIVED FROM THE PHOTODENITROGENATION OF AZOALKANES WITH TIME-RESOLVED PHOTOACOUSTIC CALORIMETRY [J].

ADAM, W ;

PLATSCH, H ;

SENDELBACH, J ;

WIRZ, J .

JOURNAL OF ORGANIC CHEMISTRY, 1993, 58 (06) :1477-1482

[3] TIME-RESOLVED OBSERVATION OF SEQUENTIAL BOND-CLEAVAGE IN A GAS-PHASE AZOALKANE [J].

ADAMS, JS ;

BURTON, KA ;

ANDREWS, BK ;

WEISMAN, RB ;

ENGEL, PS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (25) :7935-7938

[4] PHOTODISSOCIATION OF A BICYCLIC AZOALKANE - TIME-RESOLVED COHERENT ANTI-STOKES-RAMAN SPECTROSCOPY STUDIES OF VAPOR-PHASE 2,3-DIAZABICYCLO[2.2.1]HEPT-2-ENE [J].

ADAMS, JS ;

WEISMAN, RB ;

ENGEL, PS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (25) :9115-9121

[5]

Almond M.J., 1989, ADV SPECTROSCOPY, V17

[6] VIBRATIONAL SPECTRA AND STRUCTURE OF CYCLOPROPANE AND CYCLOPROPANE-D6 [J].

BAKER, AW ;

LORD, RC .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (09) :1636-1643

[7] RAMAN-SPECTRA OF CRYSTALLINE CYCLOPROPANE, CYCLOPROPANE-D6 6, AND C3H6-C3D6 SOLID-SOLUTIONS [J].

BATES, JB .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4236-4241

[8] PHOTO-CHEMICAL EXTRUSION OF NITROGEN IN AZO-COMPOUNDS - ABINITIO SCF-CI STUDY [J].

BIGOT, B ;

SEVIN, A ;

DEVAQUET, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (09) :2639-2642

[9] ELECTRON-SPIN RESONANCE AND CIDNP STUDIES ON 1,3-CYCLOPENTADIYLS - LOCALIZED 1,3 CARBON BIRADICAL SYSTEM WITH A TRIPLET GROUND-STATE - TUNNELING IN CARBON-CARBON BOND FORMATION [J].

BUCHWALTER, SL ;

CLOSS, GL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) :4688-4694

[10] STEPWISE PHOTODISSOCIATION OF VAPOR-PHASE AZOMETHANE [J].

BURTON, KA ;

WEISMAN, RB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (05) :1804-1807

← 1 2 3 →