16. Sakaki S (1990) Transition-metal complexes of nitrogen, carbon dioxide, and similar small
molecules. Ab-initio MO studies of their stereochemistry and coordinate bonding nature.
Stereochem Organometallic Inorganic Compounds (Stereochem. Control., Bonding Steric
Rearrange) 4:95–177
17. (a) Santoro M (2010) Non-molecular carbon dioxide at high pressure. In: Boldyreva E, Dera P
(eds) High-pressure crystallography: from fundamental phenomena to technological applications. Springer, Dordrecht, The Nederlands; (b) Schettino V, Bini R, Ceppatelli M,
Ciabini L, Citroni M (2005) Chemical reactions at very high pressure. Adv Chem Phys
11:105–242; (c) Iota V, Yoo CS, Cynn H (1999) Quartzlike carbon dioxide: an optically
nonlinear extended solid at high pressures and temperatures. Science 283:1510–1513;
(d) Yoo CS, Cynn H, Gygi F, Galli G, Iota V, Nicol M, Carlson S, Häusermann D, Mailhiot C
(1999) Crystal structure of carbon dioxide at high pressure: “superhard” polymeric carbon
dioxide. Phys Rev Lett 83:5527–5530; (e) Santoro M, Gorelli FA, Bini R, Ruocco G,
Scandolo S, Crichton WA (2006) Amorphous silica-like carbon dioxide. Nature 441:857–
860; (f) Yota V, Yoo CS, Klepeis JH, Jenei Z, Evans W, Cynn H (2007) Six-fold coordinated
carbon dioxide VI. Nat Mat 6:34–38; g) Datchi F, Giordano VM, Munsch P, Saitta AM
(2009) Structure of carbon dioxide phase IV: breakdown of the intermediate bonding state
scenario. Phys Rev Lett 103:185701
18. (a) Matoušek I, Fojtík A, Zahradník R (1975) A semiempirical molecular orbital study of
radicals and radical ions derived from carbon oxides. Coll Czech Chem Commun 40:1679–
1685; (b) Pacansky J, Wahlgren U, Bagus PS (1975) SCF ab intio ground state energy surface
for CO 2 and CO 2
−
. J Chem Phys 62:2740–2744; (c) England WB, Rosemberg BJ, Fortune PJ,
Wahl AC (1976) Ab initio vertical spectra and linear bent correlation diagrams for the valence
states of CO 2 and its singly charged ions. J Chem Phys 65:684–691; (d) England WB (1981)
Accurate ab initio SCF energy curves for the lowest electronic states of CO 2 /CO 2
−
. Chem
Phys Lett 78:607–613; (e) Sommerfeld T, Meyer HD, Cederbaum LS (2004) Potential energy
surface of CO 2
− anion. Phys Chem Chem Phys 6:42–45; (f) Villamena FA, Locigno EJ,
Rockenbauer A, Hadad CM, Zweier JL (2006) Theoretical and experimental studies of the
spin trapping of inorganic radicals by 5,5-dimethyl-1-pyrroline N-oxide (DMPO) 1. Carbon
dioxide radical anion. J Phys Chem 110:13253–13258; (g) Feller D, Dixon DA, Francisco JS
(2003) Coupled cluster theory determination of the heats of formation of combustion-related
compounds: CO, HCO, CO 2 , HCO 2 , HOCO, HC(O)OH, and HC(O)OOH. J Phys Chem
107:1604–1617; (h) Dixon DA, Feller D, Francisco JS (2003) Molecular structure, vibrational
frequencies, and energetics of the HCO, HOCO and HCO 2 anions. J Phys Chem A 107:186–
190
19. (a) Paulson JF (1970) Some negative-ion reactions with CO 2 . J Chem Phys 52:963–964;
(b) Cooper CD, Compton RN (1972) Metastable anions of CO 2 . Chem Phys Lett 14:29–32;
(c) Cooper CD, Compton RN (1973) Electron attachment to cyclic anhydrides and related
compounds. J Chem Phys 59:3550–3565; (d) Compton RN, Reinhardt PW, Cooper CD
(1975) Collisional ionization of Na, K, and Cs by CO 2 , COS, and CS 2 : molecular electron
affinities. J Chem Phys 63:3821–3827; (e) Boness MJW, Schulz GJ (1974) Vibrational
excitation in CO 2 via the 3.8-eV resonance. Phys Rev A 9:1969–1979
20. (a) Vestad TA, Gustafsson H, Lund A, Hole EO, Sagstuen E (2004) Radiation-induced
radicals in lithium formate monohydrate (LiHCO 2 .H 2 O). EPR and ENDOR studies of
X-irradiated crystal and polycrystalline samples. Phys Chem Chem Phys 6:3017–3022;
(b) Symons MCR, West DX, Wilkinson JG (1976) Radiation damage in thallous formate and
acetate: charge transfer from thallous ions. Int J Radiat Phys Chem 8:375–379; (c) Hisatsune IC, Adl T, Beahm EC, Kempf RJ (1970) Matrix isolation and decay kinetics of carbon
dioxide and carbonate anion free radicals. J Phys Chem 74:3225–3231; (d) Hartman KO,
Hisatsune IC (1967) Kinetics of oxalate ion pyrolysis in a potassium bromide matrix. J Phys
Chem 71:392–396; e) Chantry GW, Whiffen DH (1962) Electronic absorption spectra of
CO 2
− trapped in c-irradiated crystalline sodium formate. Mol Phys 5:189–194
118
7 Properties of the Carbon Dioxide Molecule
molecules. Ab-initio MO studies of their stereochemistry and coordinate bonding nature.
Stereochem Organometallic Inorganic Compounds (Stereochem. Control., Bonding Steric
Rearrange) 4:95–177
17. (a) Santoro M (2010) Non-molecular carbon dioxide at high pressure. In: Boldyreva E, Dera P
(eds) High-pressure crystallography: from fundamental phenomena to technological applications. Springer, Dordrecht, The Nederlands; (b) Schettino V, Bini R, Ceppatelli M,
Ciabini L, Citroni M (2005) Chemical reactions at very high pressure. Adv Chem Phys
11:105–242; (c) Iota V, Yoo CS, Cynn H (1999) Quartzlike carbon dioxide: an optically
nonlinear extended solid at high pressures and temperatures. Science 283:1510–1513;
(d) Yoo CS, Cynn H, Gygi F, Galli G, Iota V, Nicol M, Carlson S, Häusermann D, Mailhiot C
(1999) Crystal structure of carbon dioxide at high pressure: “superhard” polymeric carbon
dioxide. Phys Rev Lett 83:5527–5530; (e) Santoro M, Gorelli FA, Bini R, Ruocco G,
Scandolo S, Crichton WA (2006) Amorphous silica-like carbon dioxide. Nature 441:857–
860; (f) Yota V, Yoo CS, Klepeis JH, Jenei Z, Evans W, Cynn H (2007) Six-fold coordinated
carbon dioxide VI. Nat Mat 6:34–38; g) Datchi F, Giordano VM, Munsch P, Saitta AM
(2009) Structure of carbon dioxide phase IV: breakdown of the intermediate bonding state
scenario. Phys Rev Lett 103:185701
18. (a) Matoušek I, Fojtík A, Zahradník R (1975) A semiempirical molecular orbital study of
radicals and radical ions derived from carbon oxides. Coll Czech Chem Commun 40:1679–
1685; (b) Pacansky J, Wahlgren U, Bagus PS (1975) SCF ab intio ground state energy surface
for CO 2 and CO 2
−
. J Chem Phys 62:2740–2744; (c) England WB, Rosemberg BJ, Fortune PJ,
Wahl AC (1976) Ab initio vertical spectra and linear bent correlation diagrams for the valence
states of CO 2 and its singly charged ions. J Chem Phys 65:684–691; (d) England WB (1981)
Accurate ab initio SCF energy curves for the lowest electronic states of CO 2 /CO 2
−
. Chem
Phys Lett 78:607–613; (e) Sommerfeld T, Meyer HD, Cederbaum LS (2004) Potential energy
surface of CO 2
− anion. Phys Chem Chem Phys 6:42–45; (f) Villamena FA, Locigno EJ,
Rockenbauer A, Hadad CM, Zweier JL (2006) Theoretical and experimental studies of the
spin trapping of inorganic radicals by 5,5-dimethyl-1-pyrroline N-oxide (DMPO) 1. Carbon
dioxide radical anion. J Phys Chem 110:13253–13258; (g) Feller D, Dixon DA, Francisco JS
(2003) Coupled cluster theory determination of the heats of formation of combustion-related
compounds: CO, HCO, CO 2 , HCO 2 , HOCO, HC(O)OH, and HC(O)OOH. J Phys Chem
107:1604–1617; (h) Dixon DA, Feller D, Francisco JS (2003) Molecular structure, vibrational
frequencies, and energetics of the HCO, HOCO and HCO 2 anions. J Phys Chem A 107:186–
190
19. (a) Paulson JF (1970) Some negative-ion reactions with CO 2 . J Chem Phys 52:963–964;
(b) Cooper CD, Compton RN (1972) Metastable anions of CO 2 . Chem Phys Lett 14:29–32;
(c) Cooper CD, Compton RN (1973) Electron attachment to cyclic anhydrides and related
compounds. J Chem Phys 59:3550–3565; (d) Compton RN, Reinhardt PW, Cooper CD
(1975) Collisional ionization of Na, K, and Cs by CO 2 , COS, and CS 2 : molecular electron
affinities. J Chem Phys 63:3821–3827; (e) Boness MJW, Schulz GJ (1974) Vibrational
excitation in CO 2 via the 3.8-eV resonance. Phys Rev A 9:1969–1979
20. (a) Vestad TA, Gustafsson H, Lund A, Hole EO, Sagstuen E (2004) Radiation-induced
radicals in lithium formate monohydrate (LiHCO 2 .H 2 O). EPR and ENDOR studies of
X-irradiated crystal and polycrystalline samples. Phys Chem Chem Phys 6:3017–3022;
(b) Symons MCR, West DX, Wilkinson JG (1976) Radiation damage in thallous formate and
acetate: charge transfer from thallous ions. Int J Radiat Phys Chem 8:375–379; (c) Hisatsune IC, Adl T, Beahm EC, Kempf RJ (1970) Matrix isolation and decay kinetics of carbon
dioxide and carbonate anion free radicals. J Phys Chem 74:3225–3231; (d) Hartman KO,
Hisatsune IC (1967) Kinetics of oxalate ion pyrolysis in a potassium bromide matrix. J Phys
Chem 71:392–396; e) Chantry GW, Whiffen DH (1962) Electronic absorption spectra of
CO 2
− trapped in c-irradiated crystalline sodium formate. Mol Phys 5:189–194
118
7 Properties of the Carbon Dioxide Molecule